A0A087YNV1_POEFO Loading...

Carboxypeptidase

May be involved in vascular wall and kidney homeostasis.

AlphaFold DB , UniProt , Accession A0A087YNV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 438 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	32.3	Very low	248 Å²	248	148.1 Å²	148.1	100%	1.222	80%	0.802	S	S	*	*				0	95.7	0	-75.6	-178.9	-171.4	0	0	107.9
2	A	30.5	Very low	32.8	Very low	93 Å²	93	141 Å²	141	77%	0.769	77%	0.772	S	S	*	*			trans	-90	117.1	174.5	0	0	0	0	0	107.9	F4	A2-F4 PolarHBondContact O-N 3.3Å
3	R	29.8	Very low	33.2	Very low	247 Å²	247	138.6 Å²	138.6	93%	0.932	76%	0.764	S	S	*	*			trans	-79	106.4	173.9	-78.6	-175.4	173.3	-175.2	-1.8	108.1	G5	R3-G5 PolarHBondContact O-N 3.34Å
4	F	31.1	Very low	33.6	Very low	203 Å²	203	136.2 Å²	136.2	89%	0.89	75%	0.749	S	S	*	*			trans	-67.8	110.3	159.2	-91.6	-96.6	0	0	0	107.8	A2 A6	A2-F4 PolarHBondContact O-N 3.3Å; F4-A6 PolarHBondContact O-N 3.35Å
5	G	27.5	Very low	34	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	75%	0.753	S	S	*	*			trans	-77.6	109.7	166.5	0	0	0	0	0	108.6	R3 L7	R3-G5 PolarHBondContact O-N 3.34Å; G5-L7 PolarHBondContact O-N 3.43Å
6	A	30	Very low	34.2	Very low	88 Å²	88	132.4 Å²	132.4	73%	0.727	73%	0.729	S	S	*	*			trans	-72.1	114	169.4	0	0	0	0	0	108.5	F4 L8	F4-A6 PolarHBondContact O-N 3.35Å; A6-L8 PolarHBondContact O-N 3.16Å
7	L	31.9	Very low	34.7	Very low	160 Å²	160	136.6 Å²	136.6	84%	0.838	74%	0.742	S	S	*	*			trans	-74.2	101.3	169.7	-156.5	80.6	0	0	0	107.2	G5 C9	G5-L7 PolarHBondContact O-N 3.43Å; L7-C9 PolarHBondContact O-N 3.2Å; L7-C9 VanDerWaalsContact O-N 3.16Å
8	L	30.5	Very low	35.3	Very low	137 Å²	137	131 Å²	131	72%	0.717	72%	0.721	S	S	*	*			trans	-69.9	105	171.4	-92.3	109.9	0	0	0	108.7	A6 F10	A6-L8 PolarHBondContact O-N 3.16Å; L8-F10 HydrophobicContact CB-CE2 4.47Å; L8-F10 PolarHBondContact O-N 2.69Å
9	C	35.2	Very low	35.9	Very low	77 Å²	77	128.3 Å²	128.3	52%	0.52	71%	0.705	S	S	.	*			trans	-73.6	110.7	164.6	-66.6	0	0	0	0	107.9	L7 L11	L7-C9 PolarHBondContact O-N 3.2Å; L7-C9 VanDerWaalsContact O-N 3.16Å; C9-L11 PolarHBondContact O-N 3.23Å
10	F	35	Very low	36.2	Very low	176 Å²	176	128 Å²	128	77%	0.772	71%	0.71	S	S	*	*			trans	-78.8	100.1	168.9	-83.8	-85	0	0	0	108.3	L8 S12	L8-F10 HydrophobicContact CB-CE2 4.47Å; L8-F10 PolarHBondContact O-N 2.69Å; F10-S12 PolarHBondContact O-N 3.38Å
11	L	38.7	Very low	36.7	Very low	123 Å²	123	124.3 Å²	124.3	64%	0.644	69%	0.693	S	S	*	*			trans	-70.1	94.4	169.4	-148.7	88.6	0	0	0	108	C9 V13	C9-L11 PolarHBondContact O-N 3.23Å; L11-V13 VanDerWaalsContact C-N 3.3Å; L11-V13 HydrophobicContact CD2-CG2 3.83Å; L11-V13 HydrophobicContact CG-CG2 4.37Å; L11-V13 PolarHBondContact O-N 3.06Å
12	S	38.2	Very low	37.5	Very low	63 Å²	63	115.7 Å²	115.7	44%	0.441	66%	0.655	S	S	.	*			trans	-76.7	83.9	172.9	54.5	0	0	0	0	109.5	F10 L14	F10-S12 PolarHBondContact O-N 3.38Å; S12-L14 PolarHBondContact O-N 2.84Å
13	V	38.1	Very low	38.7	Very low	110 Å²	110	112.7 Å²	112.7	67%	0.667	63%	0.626	S	S	*	*			trans	-75.9	82.2	162.6	-176.6	0	0	0	0	107.2	L11	L11-V13 VanDerWaalsContact C-N 3.3Å; L11-V13 HydrophobicContact CD2-CG2 3.83Å; L11-V13 HydrophobicContact CG-CG2 4.37Å; L11-V13 PolarHBondContact O-N 3.06Å
14	L	39	Very low	40.1	Very low	105 Å²	105	105.6 Å²	105.6	55%	0.55	62%	0.62	S	S	.	*			trans	-85.9	109.3	173.1	-90.4	152.5	0	0	0	108.9	S12 S16	S12-L14 PolarHBondContact O-N 2.84Å; L14-S16 VanDerWaalsContact C-N 3.25Å; L14-S16 PolarHBondContact O-N 3.33Å
15	I	38.6	Very low	41.8	Very low	160 Å²	160	96.8 Å²	96.8	82%	0.821	59%	0.586	S	S	*	*			trans	-72.6	89.5	161.9	-57.5	174.3	0	0	0	106.2	Q17	I15-Q17 PolarHBondContact O-N 2.9Å
16	S	38.3	Very low	44.8	Very low	52 Å²	52	98.3 Å²	98.3	36%	0.364	57%	0.571	S	S	.	*			trans	-69.6	110.7	177.7	156.1	0	0	0	0	110.3	L14 G18	L14-S16 VanDerWaalsContact C-N 3.25Å; L14-S16 PolarHBondContact O-N 3.33Å; S16-G18 VanDerWaalsContact C-N 3.3Å; S16-G18 PolarHBondContact O-N 3.48Å; S16-G18 PolarHBondContact OG-N 2.86Å; S16-G18 PolarHBondContact OG-O 3.21Å
17	Q	41.7	Very low	47.8	Very low	204 Å²	204	95.8 Å²	95.8	95%	0.953	55%	0.545	S	S	*	.			trans	-78	85.5	154.8	-73.3	-166.6	-1.8	0	0	108.1	I15	I15-Q17 PolarHBondContact O-N 2.9Å
18	G	45.3	Very low	50.9	Low	35 Å²	35	89.9 Å²	89.9	36%	0.361	52%	0.515	S	S	.	.			trans	-174.5	116.3	-176.7	0	0	0	0	0	111.7	S16	S16-G18 VanDerWaalsContact C-N 3.3Å; S16-G18 PolarHBondContact O-N 3.48Å; S16-G18 PolarHBondContact OG-N 2.86Å; S16-G18 PolarHBondContact OG-O 3.21Å
19	L	47.1	Very low	54.2	Low	80 Å²	80	84.6 Å²	84.6	42%	0.419	49%	0.486	S	S	.	.	S	Bend	trans	71.2	128.7	-171.2	-57.1	167	0	0	0	113.8	S21 L87 P302	L19-S21 PolarHBondContact O-N 3.09Å; L19-L87 HydrophobicContact CD1-CD1 4.08Å; L19-L87 HydrophobicContact CD2-CD1 3.9Å; L19-P302 HydrophobicContact CD1-CB 4.33Å
20	P	41.6	Very low	57.2	Low	122 Å²	122	83.1 Å²	83.1	79%	0.792	47%	0.473	S	S	*	.			trans	-63.1	103.2	170.7	24.6	-28.9	0	0	0	108.3	P22	P20-P22 WeakPolarHBondContact O-CD 3.47Å
21	S	48.4	Very low	60.2	Low	51 Å²	51	76.2 Å²	76.2	36%	0.357	44%	0.441	S	S	.	.			trans	-78.5	122.1	169.4	-169.2	0	0	0	0	107.6	L19 L23	L19-S21 PolarHBondContact O-N 3.09Å; S21-L23 PolarHBondContact O-N 3.21Å; S21-L23 WeakPolarHBondContact OG-CB 3.48Å; S21-L23 PolarHBondContact OG-N 2.82Å
22	P	51.3	Low	63.1	Low	66 Å²	66	70.7 Å²	70.7	43%	0.429	41%	0.413	S	S	.	.	S	Bend	trans	-69.9	-8.6	169.6	31.7	-35.8	0	0	0	111.9	P20 L83 P89	P20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-L83 HydrophobicContact CG-CD2 3.39Å; P22-L83 HydrophobicContact CG-CG 4.42Å; P22-P89 HydrophobicContact CB-CB 4Å; P22-P89 HydrophobicContact CB-CG 3.68Å; P22-P89 HydrophobicContact CG-CB 3.91Å; P22-P89 HydrophobicContact CG-CG 3.79Å
23	L	54.8	Low	65.9	Low	30 Å²	30	73 Å²	73	16%	0.157	42%	0.417	C	S	.	.			trans	-85.3	130.6	175.4	-62.7	175	0	0	0	110.8	S21 Y45 D48 P82 V95	S21-L23 PolarHBondContact O-N 3.21Å; S21-L23 WeakPolarHBondContact OG-CB 3.48Å; S21-L23 PolarHBondContact OG-N 2.82Å; L23-Y45 HydrophobicContact CD1-CD1 3.72Å; L23-Y45 HydrophobicContact CD1-CE1 4.11Å; L23-D48 VanDerWaalsContact CA-OD2 3.26Å; L23-D48 WeakPolarHBondContact CA-OD2 3.32Å; L23-D48 HydrophobicContact CD2-CB 3.88Å; L23-D48 WeakPolarHBondContact CD2-OD2 3.21Å; L23-P82 HydrophobicContact CD1-CB 3.32Å; L23-P82 HydrophobicContact CD1-CG 3.43Å; L23-P82 VanDerWaalsContact CD1-CG 3.43Å; L23-P82 HydrophobicContact CD2-CB 3.75Å; L23-P82 HydrophobicContact CG-CB 3.64Å; L23-P82 HydrophobicContact CG-CG 4.26Å; L23-V95 HydrophobicContact CD1-CG1 4.49Å; L23-V95 HydrophobicContact CD2-CG1 4.24Å
24	A	60.1	Low	68.8	Low	98 Å²	98	68.4 Å²	68.4	81%	0.81	39%	0.389	S	S	*	.			trans	-75.8	-17.2	160	0	0	0	0	0	111.2	D48	A24-D48 PolarHBondContact N-OD2 3.36Å
25	G	66.4	Low	71.6	Confident	18 Å²	18	66.5 Å²	66.5	19%	0.186	37%	0.374	C	S	.	.	S	Bend	trans	-63.2	146	-178.9	0	0	0	0	0	115.1	D48	G25-D48 PolarHBondContact N-OD2 3Å
26	K	89.8	Confident	74.4	Confident	109 Å²	109	64.6 Å²	64.6	47%	0.474	37%	0.372	S	S	.	.			trans	-73.3	146.2	175.5	179.1	-175.6	172.1	-161.7	0	110.7	V28 Y46	K26-V28 HydrophobicContact CG-CG2 4.44Å; K26-Y46 HydrophobicContact CB-CD1 4.48Å; K26-Y46 HydrophobicContact CB-CD2 3.94Å; K26-Y46 HydrophobicContact CB-CE2 4.4Å; K26-Y46 HydrophobicContact CB-CG 3.99Å; K26-Y46 HydrophobicContact CD-CD2 4.28Å; K26-Y46 HydrophobicContact CD-CE1 4.16Å; K26-Y46 HydrophobicContact CD-CE2 3.9Å; K26-Y46 HydrophobicContact CG-CD2 4.1Å; K26-Y46 HydrophobicContact CG-CE2 4.08Å; K26-Y46 PolarHBondContact NZ-OH 3.12Å; K26-Y46 VanDerWaalsContact NZ-OH 3.09Å; K26-Y46 WeakPolarHBondContact O-CB 3.49Å; K26-Y46 WeakPolarHBondContact O-CD2 3.38Å; K26-Y46 PolarHBondContact O-N 2.99Å
27	E	94.9	Very high	77.2	Confident	36 Å²	36	62.4 Å²	62.4	17%	0.168	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.4	172.5	-60.4	176.6	-126.6	0	0	110.5	W29 W43 L44 Y45 K306	E27-W29 HydrophobicContact CB-CE3 4.3Å; E27-W29 HydrophobicContact CB-CZ3 3.94Å; E27-W43 WeakPolarHBondContact OE2-CZ2 3.45Å; E27-W43 PolarHBondContact OE2-NE1 3.28Å; E27-L44 CarbonylContact C-O 3.58Å; E27-L44 VanDerWaalsContact CA-O 3.3Å; E27-L44 WeakPolarHBondContact CA-O 3.33Å; E27-Y45 HydrophobicContact CG-CD1 3.6Å; E27-Y45 HydrophobicContact CG-CE1 3.71Å; E27-Y45 HydrophobicContact CG-CG 4.39Å; E27-Y45 WeakPolarHBondContact OE2-CE1 3.33Å; E27-K306 IonicContact OE1-NZ 2.7Å; E27-K306 PolarHBondContact OE1-NZ 2.84Å; E27-K306 IonicContact OE2-NZ 3.99Å; E27-K306 PolarHBondContact OE2-NZ 3.48Å
28	V	96.9	Very high	79.9	Confident	36 Å²	36	52.7 Å²	52.7	22%	0.218	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.4	175	-174.7	0	0	0	0	109	K26 W42 L44 Y46 I142	K26-V28 HydrophobicContact CG-CG2 4.44Å; V28-W42 HydrophobicContact CB-CZ3 4.29Å; V28-W42 HydrophobicContact CG1-CH2 3.78Å; V28-W42 HydrophobicContact CG1-CZ3 3.98Å; V28-L44 PolarHBondContact N-O 2.75Å; V28-L44 PolarHBondContact O-N 3.36Å; V28-Y46 HydrophobicContact CG2-CE2 3.89Å; V28-I142 HydrophobicContact CG1-CD1 4.28Å
29	W	98.3	Very high	82.4	Confident	26 Å²	26	52.1 Å²	52.1	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.7	176.8	54.8	84.5	0	0	0	110.3	E27 F41 W42 W43 K306 L307	E27-W29 HydrophobicContact CB-CE3 4.3Å; E27-W29 HydrophobicContact CB-CZ3 3.94Å; W29-F41 HydrophobicContact CB-CE2 3.98Å; W29-F41 HydrophobicContact CB-CZ 3.9Å; W29-F41 HydrophobicContact CG-CE2 4.44Å; W29-F41 HydrophobicContact CG-CZ 4.45Å; W29-W42 VanDerWaalsContact CA-O 3.24Å; W29-W42 WeakPolarHBondContact CA-O 3.21Å; W29-W42 VanDerWaalsContact CB-O 3.31Å; W29-W42 WeakPolarHBondContact CB-O 3.2Å; W29-W43 HydrophobicContact CB-CB 4.23Å; W29-W43 HydrophobicContact CB-CG 4.16Å; W29-W43 AromaticContact CE3-CD1 3.91Å; W29-W43 AromaticContact CE3-NE1 3.55Å; W29-K306 HydrophobicContact CH2-CG 4.31Å; W29-L307 HydrophobicContact CB-CD2 4.27Å; W29-L307 HydrophobicContact CD2-CD2 3.42Å; W29-L307 VanDerWaalsContact CD2-CD2 3.42Å; W29-L307 HydrophobicContact CE3-CD2 3.91Å; W29-L307 HydrophobicContact CG-CD2 3.57Å; W29-L307 HydrophobicContact CZ2-CD2 4.19Å; W29-L307 HydrophobicContact CZ3-CD2 4.46Å; W29-L307 PolarHBondContact NE1-O 3.25Å
30	D	98.3	Very high	84.9	Confident	46 Å²	46	48.3 Å²	48.3	25%	0.246	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	177.9	175.4	-151.7	-8.3	0	0	0	111.2	F41 W42	D30-F41 WeakPolarHBondContact O-CD2 3.45Å; D30-W42 HydrophobicContact CB-CH2 4.04Å; D30-W42 HydrophobicContact CB-CZ2 3.3Å; D30-W42 PolarHBondContact N-O 3.25Å; D30-W42 PolarHBondContact O-N 2.97Å; D30-W42 VanDerWaalsContact O-N 3.08Å
31	Y	98.6	Very high	87.6	Confident	30 Å²	30	42.5 Å²	42.5	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	152.9	166.8	-80.2	-83.2	0	0	0	111.9	H39 M40 F41 F111 Y113 I309 I310	Y31-H39 HydrophobicContact CD1-CB 4.03Å; Y31-M40 CarbonylContact C-O 3.52Å; Y31-M40 WeakPolarHBondContact CA-O 3.33Å; Y31-F41 HydrophobicContact CD1-CB 3.98Å; Y31-F41 HydrophobicContact CD1-CD2 4.49Å; Y31-F41 HydrophobicContact CD2-CD2 4.21Å; Y31-F41 HydrophobicContact CE1-CB 3.57Å; Y31-F41 HydrophobicContact CE1-CD2 4.21Å; Y31-F41 HydrophobicContact CE1-CG 4.33Å; Y31-F41 AromaticContact CE2-CD2 3.88Å; Y31-F41 HydrophobicContact CE2-CD2 3.88Å; Y31-F41 AromaticContact CZ-CD2 3.89Å; Y31-F111 VanDerWaalsContact CE1-O 3.26Å; Y31-F111 WeakPolarHBondContact CE1-O 3.36Å; Y31-F111 PolarHBondContact OH-O 3.49Å; Y31-Y113 HydrophobicContact CD1-CE1 4.23Å; Y31-Y113 AromaticContact CE1-CD1 3.91Å; Y31-Y113 HydrophobicContact CE1-CD1 3.91Å; Y31-Y113 AromaticContact CE1-CE1 3.75Å; Y31-Y113 HydrophobicContact CE1-CE1 3.75Å; Y31-I309 HydrophobicContact CD2-CD1 3.83Å; Y31-I309 HydrophobicContact CD2-CG1 4.33Å; Y31-I309 HydrophobicContact CE2-CD1 4.15Å; Y31-I309 HydrophobicContact CE2-CG1 4.21Å; Y31-I310 HydrophobicContact CE2-CD1 4Å; Y31-I310 WeakPolarHBondContact OH-CD1 3.25Å
32	V	98.5	Very high	90	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.3	164.7	-174.5	0	0	0	0	109	V34 H39 M40 V133 L134 H137	V32-V34 HydrophobicContact CB-CG1 4.31Å; V32-V34 HydrophobicContact CG1-CG1 4.1Å; V32-V34 PolarHBondContact O-N 2.8Å; V32-H39 WeakPolarHBondContact O-CA 3.37Å; V32-M40 PolarHBondContact N-O 3.47Å; V32-M40 PolarHBondContact O-N 3.36Å; V32-V133 HydrophobicContact CG1-CG1 4.2Å; V32-L134 HydrophobicContact CG2-CG 4.19Å; V32-H137 HydrophobicContact CG1-CB 4.03Å; V32-H137 HydrophobicContact CG2-CB 4.02Å
33	E	98.5	Very high	92.3	Very high	112 Å²	112	37 Å²	37	52%	0.523	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	106.3	166.1	-172.1	177.6	-170.9	0	0	108.5	R35 P36 G37 A38	E33-R35 VanDerWaalsContact CG-O 3.23Å; E33-R35 WeakPolarHBondContact CG-O 3.29Å; E33-P36 WeakPolarHBondContact OE1-CA 3.43Å; E33-G37 PolarHBondContact OE1-N 3.45Å; E33-A38 CarbonylContact C-O 3.41Å; E33-A38 WeakPolarHBondContact CA-O 3.24Å
34	V	98.4	Very high	94.4	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-26.7	-173.3	-66.1	0	0	0	0	112.6	V32 A38 M40 V107 D130 V133 L134	V32-V34 HydrophobicContact CB-CG1 4.31Å; V32-V34 HydrophobicContact CG1-CG1 4.1Å; V32-V34 PolarHBondContact O-N 2.8Å; V34-A38 HydrophobicContact CG2-CB 4.4Å; V34-A38 WeakPolarHBondContact CG2-O 3.37Å; V34-A38 PolarHBondContact N-O 3.02Å; V34-M40 HydrophobicContact CB-SD 4.49Å; V34-M40 HydrophobicContact CG1-CB 4.19Å; V34-M40 HydrophobicContact CG1-CG 4.03Å; V34-M40 HydrophobicContact CG1-SD 3.86Å; V34-M40 HydrophobicContact CG2-CG 3.89Å; V34-M40 HydrophobicContact CG2-SD 4.06Å; V34-V107 HydrophobicContact CG2-CG2 3.69Å; V34-D130 HydrophobicContact CB-CB 3.96Å; V34-D130 HydrophobicContact CG1-CB 4.49Å; V34-D130 WeakPolarHBondContact CG1-O 3.33Å; V34-D130 HydrophobicContact CG2-CB 3.78Å; V34-V133 HydrophobicContact CB-CB 4.29Å; V34-V133 HydrophobicContact CB-CG1 4.46Å; V34-V133 HydrophobicContact CG1-CB 4.19Å; V34-V133 HydrophobicContact CG1-CG1 4.32Å; V34-L134 HydrophobicContact CG1-CB 4.3Å
35	R	97.5	Very high	96.2	Very high	66 Å²	66	31 Å²	31	25%	0.249	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.3	169.6	-70.6	-179.9	-75.4	128.8	3.3	108.1	E33 G37 A38 G119 D130	E33-R35 VanDerWaalsContact CG-O 3.23Å; E33-R35 WeakPolarHBondContact CG-O 3.29Å; R35-G37 PolarHBondContact O-N 3.09Å; R35-A38 HydrophobicContact CB-CB 3.95Å; R35-A38 PolarHBondContact O-N 3.46Å; R35-G119 PolarHBondContact NH1-O 2.87Å; R35-G119 VanDerWaalsContact NH1-O 3.14Å; R35-G119 PolarHBondContact NH2-O 2.85Å; R35-D130 VanDerWaalsContact CD-OD1 3.24Å; R35-D130 WeakPolarHBondContact CD-OD1 3.28Å; R35-D130 VanDerWaalsContact CG-OD1 3.32Å; R35-D130 WeakPolarHBondContact CG-OD1 3.41Å; R35-D130 IonicContact CZ-OD1 3.7Å; R35-D130 IonicContact CZ-OD2 2.97Å; R35-D130 VanDerWaalsContact CZ-OD2 3.31Å; R35-D130 VanDerWaalsContact NE-CG 3.3Å; R35-D130 IonicContact NE-OD1 3.5Å; R35-D130 PolarHBondContact NE-OD1 3.38Å; R35-D130 IonicContact NE-OD2 2.83Å; R35-D130 PolarHBondContact NE-OD2 2.89Å; R35-D130 IonicContact NH2-OD2 2.79Å; R35-D130 PolarHBondContact NH2-OD2 2.84Å
36	P	97.1	Very high	97.7	Very high	120 Å²	120	30.5 Å²	30.5	78%	0.779	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	116.7	178.9	-28.7	36.2	0	0	0	112.7	E33 A38	E33-P36 WeakPolarHBondContact OE1-CA 3.43Å; P36-A38 VanDerWaalsContact C-N 3.26Å; P36-A38 PolarHBondContact O-N 3.09Å
37	G	97.4	Very high	98	Very high	6 Å²	6	25.8 Å²	25.8	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	11.7	-179	0	0	0	0	0	115.4	E33 R35 T114 E115	E33-G37 PolarHBondContact OE1-N 3.45Å; R35-G37 PolarHBondContact O-N 3.09Å; G37-T114 CarbonylContact O-C 3.55Å; G37-T114 WeakPolarHBondContact O-CA 3.47Å; G37-E115 PolarHBondContact O-N 2.78Å
38	A	98.4	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.8	178.6	0	0	0	0	0	109.9	E33 V34 R35 P36 V107	E33-A38 CarbonylContact C-O 3.41Å; E33-A38 WeakPolarHBondContact CA-O 3.24Å; V34-A38 HydrophobicContact CG2-CB 4.4Å; V34-A38 WeakPolarHBondContact CG2-O 3.37Å; V34-A38 PolarHBondContact N-O 3.02Å; R35-A38 HydrophobicContact CB-CB 3.95Å; R35-A38 PolarHBondContact O-N 3.46Å; P36-A38 VanDerWaalsContact C-N 3.26Å; P36-A38 PolarHBondContact O-N 3.09Å; A38-V107 HydrophobicContact CB-CG1 3.87Å; A38-V107 HydrophobicContact CB-CG2 4.07Å
39	H	98.8	Very high	97.5	Very high	22 Å²	22	25.9 Å²	25.9	10%	0.102	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127	-167.5	-55.2	-85.1	0	0	0	110.6	Y31 V32 S112 Y113 E115	Y31-H39 HydrophobicContact CD1-CB 4.03Å; V32-H39 WeakPolarHBondContact O-CA 3.37Å; H39-S112 CarbonylContact O-C 3.57Å; H39-S112 VanDerWaalsContact O-CA 3.28Å; H39-S112 WeakPolarHBondContact O-CA 3.36Å; H39-S112 WeakPolarHBondContact O-CB 3.4Å; H39-Y113 HydrophobicContact CB-CD1 3.97Å; H39-Y113 HydrophobicContact CB-CE1 3.57Å; H39-Y113 AromaticContact CD2-CE1 3.96Å; H39-Y113 AromaticContact CD2-CE2 3.41Å; H39-Y113 VanDerWaalsContact CD2-CE2 3.41Å; H39-Y113 WeakPolarHBondContact CD2-CE2 3.42Å; H39-Y113 AromaticContact CD2-CZ 3.33Å; H39-Y113 PolarHBondContact CD2-OH 3.17Å; H39-Y113 AromaticContact CG-CE1 3.93Å; H39-Y113 AromaticContact CG-CZ 3.7Å; H39-Y113 PolarHBondContact N-O 3.39Å; H39-Y113 PolarHBondContact O-N 3.46Å; H39-E115 IonicContact CD2-OE1 2.96Å; H39-E115 IonicContact CE1-OE1 3.88Å; H39-E115 IonicContact NE2-OE1 3.33Å; H39-E115 PolarHBondContact NE2-OE1 2.98Å
40	M	98.8	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.8	176	-71.4	-175.4	69.1	0	0	111.5	Y31 V32 V34 V103 N105 V107 S112 D130 M131 L134	Y31-M40 CarbonylContact C-O 3.52Å; Y31-M40 WeakPolarHBondContact CA-O 3.33Å; V32-M40 PolarHBondContact N-O 3.47Å; V32-M40 PolarHBondContact O-N 3.36Å; V34-M40 HydrophobicContact CB-SD 4.49Å; V34-M40 HydrophobicContact CG1-CB 4.19Å; V34-M40 HydrophobicContact CG1-CG 4.03Å; V34-M40 HydrophobicContact CG1-SD 3.86Å; V34-M40 HydrophobicContact CG2-CG 3.89Å; V34-M40 HydrophobicContact CG2-SD 4.06Å; M40-V103 HydrophobicContact CE-CG1 3.74Å; M40-N105 HydrophobicContact CE-CB 3.83Å; M40-N105 WeakPolarHBondContact CE-OD1 3.36Å; M40-V107 HydrophobicContact CG-CG2 3.67Å; M40-V107 HydrophobicContact SD-CG2 4.33Å; M40-S112 WeakPolarHBondContact CA-OG 3.45Å; M40-D130 HydrophobicContact SD-CB 3.97Å; M40-M131 HydrophobicContact CE-CE 3.82Å; M40-L134 HydrophobicContact CB-CD1 3.73Å; M40-L134 HydrophobicContact CE-CD1 3.98Å; M40-L134 HydrophobicContact SD-CD1 4.31Å
41	F	98.9	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.9	175.1	-179.4	-107	0	0	0	111.3	W29 D30 Y31 W43 D104 F111 S112 L307 I309 I310	W29-F41 HydrophobicContact CB-CE2 3.98Å; W29-F41 HydrophobicContact CB-CZ 3.9Å; W29-F41 HydrophobicContact CG-CE2 4.44Å; W29-F41 HydrophobicContact CG-CZ 4.45Å; D30-F41 WeakPolarHBondContact O-CD2 3.45Å; Y31-F41 HydrophobicContact CD1-CB 3.98Å; Y31-F41 HydrophobicContact CD1-CD2 4.49Å; Y31-F41 HydrophobicContact CD2-CD2 4.21Å; Y31-F41 HydrophobicContact CE1-CB 3.57Å; Y31-F41 HydrophobicContact CE1-CD2 4.21Å; Y31-F41 HydrophobicContact CE1-CG 4.33Å; Y31-F41 AromaticContact CE2-CD2 3.88Å; Y31-F41 HydrophobicContact CE2-CD2 3.88Å; Y31-F41 AromaticContact CZ-CD2 3.89Å; F41-W43 HydrophobicContact CE1-CB 4.06Å; F41-W43 HydrophobicContact CZ-CB 4.2Å; F41-D104 HydrophobicContact CB-CB 4.46Å; F41-D104 PolarHBondContact O-N 2.89Å; F41-D104 VanDerWaalsContact O-N 3.08Å; F41-F111 HydrophobicContact CB-CB 3.9Å; F41-F111 HydrophobicContact CD1-CB 3.88Å; F41-F111 HydrophobicContact CD1-CD2 4.06Å; F41-F111 HydrophobicContact CD1-CG 4.49Å; F41-F111 AromaticContact CE1-CD2 3.98Å; F41-F111 HydrophobicContact CE1-CD2 3.98Å; F41-F111 HydrophobicContact CG-CB 3.83Å; F41-F111 HydrophobicContact CZ-CD2 4.49Å; F41-S112 PolarHBondContact N-OG 3.2Å; F41-L307 HydrophobicContact CE1-CD1 4.31Å; F41-L307 HydrophobicContact CE2-CD1 4.4Å; F41-L307 HydrophobicContact CZ-CD1 3.71Å; F41-L307 HydrophobicContact CZ-CD2 4.08Å; F41-L307 HydrophobicContact CZ-CG 4.49Å; F41-I309 HydrophobicContact CE2-CD1 4.3Å; F41-I310 HydrophobicContact CD2-CD1 4.31Å; F41-I310 HydrophobicContact CE2-CD1 4.15Å
42	W	98.8	Very high	96.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	172	59.9	-92	0	0	0	111.7	V28 W29 D30 L44 L101 F102 V103 F138 I142	V28-W42 HydrophobicContact CB-CZ3 4.29Å; V28-W42 HydrophobicContact CG1-CH2 3.78Å; V28-W42 HydrophobicContact CG1-CZ3 3.98Å; W29-W42 VanDerWaalsContact CA-O 3.24Å; W29-W42 WeakPolarHBondContact CA-O 3.21Å; W29-W42 VanDerWaalsContact CB-O 3.31Å; W29-W42 WeakPolarHBondContact CB-O 3.2Å; D30-W42 HydrophobicContact CB-CH2 4.04Å; D30-W42 HydrophobicContact CB-CZ2 3.3Å; D30-W42 PolarHBondContact N-O 3.25Å; D30-W42 PolarHBondContact O-N 2.97Å; D30-W42 VanDerWaalsContact O-N 3.08Å; W42-L44 HydrophobicContact CE3-CB 4.35Å; W42-L44 HydrophobicContact CZ3-CB 4.09Å; W42-L101 HydrophobicContact CB-CD1 3.99Å; W42-L101 HydrophobicContact CD2-CD1 4.26Å; W42-L101 HydrophobicContact CE3-CD1 3.74Å; W42-L101 HydrophobicContact CG-CD1 4.4Å; W42-F102 CarbonylContact C-O 3.35Å; W42-F102 VanDerWaalsContact CA-O 3.32Å; W42-F102 WeakPolarHBondContact CA-O 3.43Å; W42-V103 HydrophobicContact CB-CG2 4.17Å; W42-F138 HydrophobicContact CD2-CD2 4.35Å; W42-F138 HydrophobicContact CE3-CD2 4.2Å; W42-F138 HydrophobicContact CE3-CE2 4.31Å; W42-F138 HydrophobicContact CH2-CD2 4.29Å; W42-F138 HydrophobicContact CZ2-CD2 4.41Å; W42-F138 HydrophobicContact CZ3-CD2 4.19Å; W42-F138 HydrophobicContact CZ3-CE2 4.15Å; W42-I142 HydrophobicContact CH2-CD1 3.95Å; W42-I142 HydrophobicContact CZ3-CD1 4.27Å
43	W	98.8	Very high	95.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	115.9	179.4	-170.1	-3.2	0	0	0	110.4	E27 W29 F41 Y45 F77 F102 I303 K306 L307	E27-W43 WeakPolarHBondContact OE2-CZ2 3.45Å; E27-W43 PolarHBondContact OE2-NE1 3.28Å; W29-W43 HydrophobicContact CB-CB 4.23Å; W29-W43 HydrophobicContact CB-CG 4.16Å; W29-W43 AromaticContact CE3-CD1 3.91Å; W29-W43 AromaticContact CE3-NE1 3.55Å; F41-W43 HydrophobicContact CE1-CB 4.06Å; F41-W43 HydrophobicContact CZ-CB 4.2Å; W43-Y45 AromaticContact CD1-CE2 3.83Å; W43-Y45 AromaticContact CD2-CE2 3.8Å; W43-Y45 HydrophobicContact CD2-CE2 3.8Å; W43-Y45 AromaticContact CE2-CE2 3.69Å; W43-Y45 AromaticContact CE2-CZ 3.53Å; W43-Y45 VanDerWaalsContact CE2-OH 3.26Å; W43-Y45 HydrophobicContact CE3-CE2 4.42Å; W43-Y45 AromaticContact CG-CE2 3.96Å; W43-Y45 HydrophobicContact CG-CE2 3.96Å; W43-Y45 VanDerWaalsContact CH2-OH 3.23Å; W43-Y45 WeakPolarHBondContact CH2-OH 3.48Å; W43-Y45 HydrophobicContact CZ2-CE1 4.46Å; W43-Y45 HydrophobicContact CZ2-CE2 4.28Å; W43-Y45 AromaticContact CZ2-CZ 3.69Å; W43-Y45 WeakPolarHBondContact CZ2-OH 3.34Å; W43-Y45 AromaticContact NE1-CE2 3.63Å; W43-Y45 AromaticContact NE1-CZ 3.65Å; W43-F77 HydrophobicContact CH2-CE2 4.37Å; W43-F77 AromaticContact CH2-CZ 3.94Å; W43-F77 HydrophobicContact CH2-CZ 3.94Å; W43-F77 AromaticContact CZ3-CE2 3.91Å; W43-F77 HydrophobicContact CZ3-CE2 3.91Å; W43-F77 AromaticContact CZ3-CZ 3.96Å; W43-F77 HydrophobicContact CZ3-CZ 3.96Å; W43-F102 PolarHBondContact N-O 3.35Å; W43-F102 PolarHBondContact O-N 3.17Å; W43-I303 HydrophobicContact CH2-CD1 4.36Å; W43-I303 HydrophobicContact CH2-CG2 3.91Å; W43-I303 HydrophobicContact CZ3-CG2 3.75Å; W43-K306 HydrophobicContact CZ2-CD 4.43Å; W43-L307 HydrophobicContact CD2-CD2 4.25Å; W43-L307 HydrophobicContact CE3-CD2 4.33Å; W43-L307 HydrophobicContact CH2-CD2 4.25Å; W43-L307 HydrophobicContact CZ2-CD2 4.15Å; W43-L307 HydrophobicContact CZ3-CD2 4.35Å
44	L	98.7	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	177.6	177.2	66.8	0	0	0	111.4	E27 V28 W42 Y46 L59 V100 L101 F138 I142 F145	E27-L44 CarbonylContact C-O 3.58Å; E27-L44 VanDerWaalsContact CA-O 3.3Å; E27-L44 WeakPolarHBondContact CA-O 3.33Å; V28-L44 PolarHBondContact N-O 2.75Å; V28-L44 PolarHBondContact O-N 3.36Å; W42-L44 HydrophobicContact CE3-CB 4.35Å; W42-L44 HydrophobicContact CZ3-CB 4.09Å; L44-Y46 HydrophobicContact CD2-CD2 4.02Å; L44-Y46 HydrophobicContact CD2-CE2 3.49Å; L44-Y46 VanDerWaalsContact CD2-CE2 3.49Å; L44-Y46 HydrophobicContact CG-CD2 4.14Å; L44-Y46 HydrophobicContact CG-CE2 4.08Å; L44-L59 HydrophobicContact CD1-CD1 3.81Å; L44-V100 WeakPolarHBondContact CA-O 3.3Å; L44-L101 HydrophobicContact CB-CD1 4.15Å; L44-L101 HydrophobicContact CD1-CB 4.24Å; L44-F138 HydrophobicContact CD1-CZ 4.5Å; L44-F138 HydrophobicContact CD2-CE2 4.08Å; L44-F138 HydrophobicContact CD2-CZ 4.13Å; L44-I142 HydrophobicContact CD2-CD1 4Å; L44-F145 HydrophobicContact CD1-CZ 4.44Å; L44-F145 HydrophobicContact CD2-CD2 4.24Å; L44-F145 HydrophobicContact CD2-CE2 3.49Å; L44-F145 VanDerWaalsContact CD2-CE2 3.49Å; L44-F145 HydrophobicContact CD2-CZ 3.9Å
45	Y	98.1	Very high	95.5	Very high	4 Å²	4	42 Å²	42	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.5	162.4	-68.7	-97.8	0	0	0	109.1	L23 E27 W43 N76 P82 V95 S99 V100 F102	L23-Y45 HydrophobicContact CD1-CD1 3.72Å; L23-Y45 HydrophobicContact CD1-CE1 4.11Å; E27-Y45 HydrophobicContact CG-CD1 3.6Å; E27-Y45 HydrophobicContact CG-CE1 3.71Å; E27-Y45 HydrophobicContact CG-CG 4.39Å; E27-Y45 WeakPolarHBondContact OE2-CE1 3.33Å; W43-Y45 AromaticContact CD1-CE2 3.83Å; W43-Y45 AromaticContact CD2-CE2 3.8Å; W43-Y45 HydrophobicContact CD2-CE2 3.8Å; W43-Y45 AromaticContact CE2-CE2 3.69Å; W43-Y45 AromaticContact CE2-CZ 3.53Å; W43-Y45 VanDerWaalsContact CE2-OH 3.26Å; W43-Y45 HydrophobicContact CE3-CE2 4.42Å; W43-Y45 AromaticContact CG-CE2 3.96Å; W43-Y45 HydrophobicContact CG-CE2 3.96Å; W43-Y45 VanDerWaalsContact CH2-OH 3.23Å; W43-Y45 WeakPolarHBondContact CH2-OH 3.48Å; W43-Y45 HydrophobicContact CZ2-CE1 4.46Å; W43-Y45 HydrophobicContact CZ2-CE2 4.28Å; W43-Y45 AromaticContact CZ2-CZ 3.69Å; W43-Y45 WeakPolarHBondContact CZ2-OH 3.34Å; W43-Y45 AromaticContact NE1-CE2 3.63Å; W43-Y45 AromaticContact NE1-CZ 3.65Å; Y45-N76 WeakPolarHBondContact CE2-ND2 3.48Å; Y45-N76 PolarHBondContact OH-ND2 2.97Å; Y45-P82 HydrophobicContact CD1-CG 3.89Å; Y45-P82 HydrophobicContact CE1-CG 3.58Å; Y45-V95 HydrophobicContact CG-CG2 4.35Å; Y45-S99 CarbonylContact O-C 3.56Å; Y45-S99 VanDerWaalsContact O-CA 3.23Å; Y45-S99 WeakPolarHBondContact O-CA 3.49Å; Y45-S99 WeakPolarHBondContact O-CB 3.31Å; Y45-V100 PolarHBondContact N-O 2.86Å; Y45-V100 PolarHBondContact O-N 3.36Å; Y45-F102 AromaticContact CD2-CD2 3.73Å; Y45-F102 HydrophobicContact CD2-CD2 3.73Å; Y45-F102 AromaticContact CD2-CE2 3.63Å; Y45-F102 HydrophobicContact CD2-CE2 3.63Å; Y45-F102 AromaticContact CE2-CD2 3.81Å; Y45-F102 HydrophobicContact CE2-CD2 3.81Å; Y45-F102 AromaticContact CE2-CE2 3.81Å; Y45-F102 HydrophobicContact CE2-CE2 3.81Å
46	Y	97.4	Very high	95.3	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.024	25%	0.253	C	S	.	.			trans	-74.9	145.4	172.1	-75.4	-123.1	0	0	0	109.1	K26 V28 L44 D48 Y54 V95 E144 F145	K26-Y46 HydrophobicContact CB-CD1 4.48Å; K26-Y46 HydrophobicContact CB-CD2 3.94Å; K26-Y46 HydrophobicContact CB-CE2 4.4Å; K26-Y46 HydrophobicContact CB-CG 3.99Å; K26-Y46 HydrophobicContact CD-CD2 4.28Å; K26-Y46 HydrophobicContact CD-CE1 4.16Å; K26-Y46 HydrophobicContact CD-CE2 3.9Å; K26-Y46 HydrophobicContact CG-CD2 4.1Å; K26-Y46 HydrophobicContact CG-CE2 4.08Å; K26-Y46 PolarHBondContact NZ-OH 3.12Å; K26-Y46 VanDerWaalsContact NZ-OH 3.09Å; K26-Y46 WeakPolarHBondContact O-CB 3.49Å; K26-Y46 WeakPolarHBondContact O-CD2 3.38Å; K26-Y46 PolarHBondContact O-N 2.99Å; V28-Y46 HydrophobicContact CG2-CE2 3.89Å; L44-Y46 HydrophobicContact CD2-CD2 4.02Å; L44-Y46 HydrophobicContact CD2-CE2 3.49Å; L44-Y46 VanDerWaalsContact CD2-CE2 3.49Å; L44-Y46 HydrophobicContact CG-CD2 4.14Å; L44-Y46 HydrophobicContact CG-CE2 4.08Å; Y46-D48 PolarHBondContact O-N 3.19Å; Y46-Y54 AromaticContact CD1-CD1 4Å; Y46-Y54 HydrophobicContact CD1-CD1 4Å; Y46-Y54 AromaticContact CD1-CD2 3.64Å; Y46-Y54 HydrophobicContact CD1-CD2 3.64Å; Y46-Y54 AromaticContact CD1-CE1 4Å; Y46-Y54 HydrophobicContact CD1-CE1 4Å; Y46-Y54 AromaticContact CD1-CE2 3.66Å; Y46-Y54 HydrophobicContact CD1-CE2 3.66Å; Y46-Y54 AromaticContact CD1-CG 3.83Å; Y46-Y54 HydrophobicContact CD1-CG 3.83Å; Y46-Y54 AromaticContact CD1-CZ 3.84Å; Y46-Y54 HydrophobicContact CE1-CD2 4.13Å; Y46-Y54 HydrophobicContact CE1-CE1 4.35Å; Y46-Y54 AromaticContact CE1-CE2 3.68Å; Y46-Y54 HydrophobicContact CE1-CE2 3.68Å; Y46-Y54 AromaticContact CE1-CZ 3.81Å; Y46-V95 VanDerWaalsContact O-CG1 3.25Å; Y46-V95 WeakPolarHBondContact O-CG1 3.37Å; Y46-E144 PolarHBondContact OH-OE1 2.79Å; Y46-F145 HydrophobicContact CD1-CZ 4.07Å; Y46-F145 AromaticContact CE1-CE2 3.97Å; Y46-F145 HydrophobicContact CE1-CE2 3.97Å; Y46-F145 AromaticContact CE1-CZ 3.85Å; Y46-F145 HydrophobicContact CE1-CZ 3.85Å; Y46-F145 HydrophobicContact CE2-CE2 4.26Å; Y46-F145 HydrophobicContact CE2-CZ 4.36Å; Y46-F145 HydrophobicContact CG-CZ 4.44Å; Y46-F145 AromaticContact CZ-CE2 3.76Å
47	A	96.1	Very high	95.4	Very high	11 Å²	11	39.3 Å²	39.3	9%	0.091	22%	0.219	C	C	.	.			trans	-56.8	135.3	179.1	0	0	0	0	0	111.3	L57 V95 A98 S99	A47-L57 HydrophobicContact CB-CB 4.24Å; A47-L57 HydrophobicContact CB-CD1 3.6Å; A47-V95 CarbonylContact C-O 3.55Å; A47-V95 VanDerWaalsContact CA-O 3.22Å; A47-V95 WeakPolarHBondContact CA-O 3.25Å; A47-A98 WeakPolarHBondContact CA-O 3.39Å; A47-A98 VanDerWaalsContact CB-C 3.44Å; A47-S99 PolarHBondContact N-OG 3.43Å
48	D	92.3	Very high	95.4	Very high	52 Å²	52	39.4 Å²	39.4	28%	0.278	22%	0.219	S	C	.	.			trans	-122.9	72.7	177.9	-163.4	0.2	0	0	0	108.7	L23 A24 G25 Y46 V95 Q96	L23-D48 VanDerWaalsContact CA-OD2 3.26Å; L23-D48 WeakPolarHBondContact CA-OD2 3.32Å; L23-D48 HydrophobicContact CD2-CB 3.88Å; L23-D48 WeakPolarHBondContact CD2-OD2 3.21Å; A24-D48 PolarHBondContact N-OD2 3.36Å; G25-D48 PolarHBondContact N-OD2 3Å; Y46-D48 PolarHBondContact O-N 3.19Å; D48-V95 HydrophobicContact CB-CG1 4.1Å; D48-V95 PolarHBondContact N-O 3.13Å; D48-Q96 WeakPolarHBondContact O-CA 3.23Å
49	S	90.1	Very high	95.4	Very high	21 Å²	21	39.4 Å²	39.4	15%	0.147	22%	0.219	C	C	.	.			trans	-97.1	136.9	-176.8	-170.1	0	0	0	0	110.9	S51 Q96	S49-S51 PolarHBondContact O-N 3.46Å; S49-Q96 WeakPolarHBondContact CB-O 3.44Å; S49-Q96 PolarHBondContact OG-O 3.39Å; S49-Q96 VanDerWaalsContact OG-O 3.05Å
50	P	86.1	Confident	95.4	Very high	129 Å²	129	38.3 Å²	38.3	84%	0.838	21%	0.214	S	C	*	.	S	Bend	trans	-69.7	-17.7	175.7	28.8	-35.3	0	0	0	113.1
51	S	87.9	Confident	95.4	Very high	112 Å²	112	38.3 Å²	38.3	78%	0.783	21%	0.214	S	C	*	.	S	Bend	trans	-118.9	-6.1	-170.5	54.1	0	0	0	0	114.9	S49	S49-S51 PolarHBondContact O-N 3.46Å
52	A	91.4	Very high	95.4	Very high	31 Å²	31	38.3 Å²	38.3	26%	0.256	21%	0.214	S	C	.	.	S	Bend	trans	-146.8	153.4	-175.8	0	0	0	0	0	111.3	D56 L57	A52-D56 HydrophobicContact CB-CB 4.47Å; A52-L57 HydrophobicContact CB-CD1 4.07Å; A52-L57 HydrophobicContact CB-CD2 4.08Å; A52-L57 HydrophobicContact CB-CG 3.99Å
53	K	92.8	Very high	95.4	Very high	148 Å²	148	38.3 Å²	38.3	64%	0.643	21%	0.214	S	C	*	.			trans	-81.8	156.8	168.9	-58.7	177.9	-179.7	172.2	0	109.2	Q55 D56	K53-Q55 VanDerWaalsContact CB-OE1 3.28Å; K53-Q55 PolarHBondContact O-N 3.27Å; K53-Q55 VanDerWaalsContact O-N 3.09Å; K53-D56 WeakPolarHBondContact CB-OD2 3.43Å; K53-D56 PolarHBondContact N-OD2 3Å; K53-D56 PolarHBondContact O-N 3.31Å
54	Y	94.6	Very high	95.4	Very high	62 Å²	62	38.6 Å²	38.6	24%	0.243	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.4	179.7	78.4	-95.8	0	0	0	113.4	Y46 D56 L57 F145 M148	Y46-Y54 AromaticContact CD1-CD1 4Å; Y46-Y54 HydrophobicContact CD1-CD1 4Å; Y46-Y54 AromaticContact CD1-CD2 3.64Å; Y46-Y54 HydrophobicContact CD1-CD2 3.64Å; Y46-Y54 AromaticContact CD1-CE1 4Å; Y46-Y54 HydrophobicContact CD1-CE1 4Å; Y46-Y54 AromaticContact CD1-CE2 3.66Å; Y46-Y54 HydrophobicContact CD1-CE2 3.66Å; Y46-Y54 AromaticContact CD1-CG 3.83Å; Y46-Y54 HydrophobicContact CD1-CG 3.83Å; Y46-Y54 AromaticContact CD1-CZ 3.84Å; Y46-Y54 HydrophobicContact CE1-CD2 4.13Å; Y46-Y54 HydrophobicContact CE1-CE1 4.35Å; Y46-Y54 AromaticContact CE1-CE2 3.68Å; Y46-Y54 HydrophobicContact CE1-CE2 3.68Å; Y46-Y54 AromaticContact CE1-CZ 3.81Å; Y54-D56 PolarHBondContact O-N 3.29Å; Y54-L57 PolarHBondContact O-N 2.81Å; Y54-F145 HydrophobicContact CD2-CZ 4.46Å; Y54-M148 HydrophobicContact CD2-CE 3.97Å; Y54-M148 HydrophobicContact CE2-CE 3.86Å
55	Q	95	Very high	95.3	Very high	90 Å²	90	38.6 Å²	38.6	42%	0.421	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-70.4	-20.2	177.3	-59.7	90	-15.5	0	0	113.9	K53 L57 M148	K53-Q55 VanDerWaalsContact CB-OE1 3.28Å; K53-Q55 PolarHBondContact O-N 3.27Å; K53-Q55 VanDerWaalsContact O-N 3.09Å; Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-M148 HydrophobicContact CB-CE 4.08Å; Q55-M148 HydrophobicContact CG-CE 4.02Å
56	D	94.9	Very high	95.1	Very high	118 Å²	118	38.9 Å²	38.9	63%	0.631	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-91.4	-2	179.6	-52	-47	0	0	0	111.5	A52 K53 Y54	A52-D56 HydrophobicContact CB-CB 4.47Å; K53-D56 WeakPolarHBondContact CB-OD2 3.43Å; K53-D56 PolarHBondContact N-OD2 3Å; K53-D56 PolarHBondContact O-N 3.31Å; Y54-D56 PolarHBondContact O-N 3.29Å
57	L	97.2	Very high	95	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	22%	0.218	C	C	.	.	S	Bend	trans	-116.6	154.5	-174.5	-66.6	176.9	0	0	0	111.3	A47 A52 Y54 Q55	A47-L57 HydrophobicContact CB-CB 4.24Å; A47-L57 HydrophobicContact CB-CD1 3.6Å; A52-L57 HydrophobicContact CB-CD1 4.07Å; A52-L57 HydrophobicContact CB-CD2 4.08Å; A52-L57 HydrophobicContact CB-CG 3.99Å; Y54-L57 PolarHBondContact O-N 2.81Å; Q55-L57 VanDerWaalsContact C-N 3.33Å
58	P	98.4	Very high	95	Very high	7 Å²	7	38 Å²	38	5%	0.045	21%	0.214	C	C	.	.			trans	-69.6	162.4	-178.9	31.5	-39.1	0	0	0	112.6	A98 S99 P149 Y151 T435	P58-A98 HydrophobicContact CG-CB 3.99Å; P58-A98 WeakPolarHBondContact O-CA 3.26Å; P58-S99 PolarHBondContact O-N 3.03Å; P58-P149 WeakPolarHBondContact CA-O 3.38Å; P58-P149 HydrophobicContact CB-CB 4.36Å; P58-P149 WeakPolarHBondContact CB-O 3.48Å; P58-Y151 HydrophobicContact CB-CD2 4Å; P58-Y151 HydrophobicContact CB-CE2 4.06Å; P58-T435 HydrophobicContact CB-CG2 4.44Å; P58-T435 HydrophobicContact CG-CG2 3.99Å
59	L	98.9	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.9	159.8	177.3	66	0	0	0	108.9	L44 S99 L101 F138 F139 F145 P149 F150 Y151	L44-L59 HydrophobicContact CD1-CD1 3.81Å; L59-S99 WeakPolarHBondContact CA-O 3.35Å; L59-L101 HydrophobicContact CD1-CB 4.14Å; L59-F138 HydrophobicContact CD2-CE1 3.66Å; L59-F138 HydrophobicContact CD2-CZ 4.1Å; L59-F139 HydrophobicContact CD2-CE1 3.93Å; L59-F139 HydrophobicContact CD2-CZ 3.94Å; L59-F145 HydrophobicContact CB-CD1 4.05Å; L59-F145 HydrophobicContact CD1-CD1 4.14Å; L59-F145 HydrophobicContact CD1-CE1 4.28Å; L59-F145 HydrophobicContact CD2-CB 4.12Å; L59-F145 HydrophobicContact CD2-CD1 4.24Å; L59-F145 HydrophobicContact CD2-CG 4.29Å; L59-F145 HydrophobicContact CG-CD1 4.38Å; L59-P149 PolarHBondContact N-O 3.26Å; L59-F150 HydrophobicContact CB-CD2 4.1Å; L59-F150 HydrophobicContact CD2-CD2 3.66Å; L59-F150 HydrophobicContact CD2-CE2 4.05Å; L59-F150 HydrophobicContact CD2-CG 4.39Å; L59-F150 HydrophobicContact CG-CD2 3.73Å; L59-F150 HydrophobicContact CG-CE2 4.16Å; L59-F150 WeakPolarHBondContact O-CA 3.35Å; L59-Y151 PolarHBondContact O-N 2.93Å
60	V	98.9	Very high	95.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.7	173.9	170.9	0	0	0	0	108.7	W94 A98 S99 V100 L101 Y151 F153 L431	V60-W94 HydrophobicContact CG1-CE3 4.3Å; V60-W94 HydrophobicContact CG1-CZ3 4.3Å; V60-A98 HydrophobicContact CB-CB 4.15Å; V60-A98 HydrophobicContact CG2-CB 3.64Å; V60-S99 PolarHBondContact N-O 2.97Å; V60-V100 CarbonylContact O-C 3.53Å; V60-V100 WeakPolarHBondContact O-CA 3.24Å; V60-L101 PolarHBondContact O-N 2.91Å; V60-Y151 CarbonylContact C-O 3.51Å; V60-Y151 WeakPolarHBondContact CA-O 3.41Å; V60-F153 HydrophobicContact CG1-CB 4.03Å; V60-F153 HydrophobicContact CG1-CD2 3.72Å; V60-F153 HydrophobicContact CG1-CG 4.09Å; V60-F153 HydrophobicContact CG2-CD2 4.35Å; V60-F153 HydrophobicContact CG2-CE2 4.4Å; V60-L431 HydrophobicContact CG2-CD1 3.99Å
61	M	98.9	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.4	164.6	178.7	170.7	72.9	0	0	109.5	L63 L101 V103 M131 L135 F150 Y151 I152 F153 I165	M61-L63 HydrophobicContact CE-CD1 4Å; M61-L63 HydrophobicContact CE-CD2 4.14Å; M61-L63 HydrophobicContact CE-CG 4.17Å; M61-L63 HydrophobicContact CG-CD2 4.15Å; M61-L63 HydrophobicContact CG-CG 4.41Å; M61-L63 HydrophobicContact SD-CD2 4.15Å; M61-L101 CarbonylContact C-O 3.58Å; M61-L101 VanDerWaalsContact CA-O 3.27Å; M61-L101 WeakPolarHBondContact CA-O 3.39Å; M61-L101 HydrophobicContact CB-CB 4.4Å; M61-L101 HydrophobicContact CB-CD2 4.45Å; M61-L101 HydrophobicContact CG-CD2 4.4Å; M61-L101 HydrophobicContact CG-CG 4.5Å; M61-L101 HydrophobicContact SD-CD2 4.35Å; M61-V103 HydrophobicContact CG-CG2 3.92Å; M61-V103 HydrophobicContact SD-CG2 3.68Å; M61-M131 HydrophobicContact CE-CE 4.36Å; M61-M131 HydrophobicContact CE-CG 4.39Å; M61-M131 HydrophobicContact CE-SD 4.14Å; M61-M131 HydrophobicContact SD-CE 4.23Å; M61-M131 HydrophobicContact SD-SD 3.88Å; M61-L135 HydrophobicContact SD-CD2 4.07Å; M61-F150 HydrophobicContact CB-CE2 3.6Å; M61-F150 HydrophobicContact CB-CZ 3.83Å; M61-F150 HydrophobicContact CE-CZ 4.27Å; M61-F150 HydrophobicContact SD-CZ 4.48Å; M61-Y151 PolarHBondContact N-O 3.15Å; M61-I152 HydrophobicContact CB-CG1 4.49Å; M61-I152 HydrophobicContact CE-CB 4.34Å; M61-I152 HydrophobicContact CE-CD1 3.53Å; M61-I152 HydrophobicContact CE-CG1 3.66Å; M61-I152 HydrophobicContact CE-CG2 3.82Å; M61-F153 PolarHBondContact O-N 3.15Å; M61-I165 HydrophobicContact CE-CG2 4.34Å
62	W	98.9	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.8	175.5	-179.2	-99	0	0	0	111.2	I80 W94 L101 F102 F153 E155 P420	W62-I80 HydrophobicContact CB-CD1 3.93Å; W62-I80 HydrophobicContact CD2-CD1 3.54Å; W62-I80 HydrophobicContact CD2-CG1 4.33Å; W62-I80 HydrophobicContact CE3-CD1 3.6Å; W62-I80 HydrophobicContact CG-CD1 3.69Å; W62-I80 HydrophobicContact CZ3-CD1 4.31Å; W62-W94 HydrophobicContact CE3-CH2 4.21Å; W62-W94 AromaticContact CE3-CZ3 3.86Å; W62-W94 HydrophobicContact CE3-CZ3 3.86Å; W62-W94 AromaticContact CZ3-CH2 3.65Å; W62-W94 HydrophobicContact CZ3-CH2 3.65Å; W62-W94 HydrophobicContact CZ3-CZ2 4.43Å; W62-W94 AromaticContact CZ3-CZ3 3.78Å; W62-W94 HydrophobicContact CZ3-CZ3 3.78Å; W62-L101 PolarHBondContact N-O 3.03Å; W62-F102 HydrophobicContact CB-CD1 3.96Å; W62-F102 HydrophobicContact CB-CE1 4.15Å; W62-F102 HydrophobicContact CG-CD1 4.26Å; W62-F102 HydrophobicContact CG-CE1 4.26Å; W62-F153 WeakPolarHBondContact CA-O 3.4Å; W62-F153 HydrophobicContact CE3-CB 3.76Å; W62-F153 HydrophobicContact CZ3-CB 4.06Å; W62-E155 HydrophobicContact CH2-CB 4.23Å; W62-E155 HydrophobicContact CZ2-CB 4.01Å; W62-P420 HydrophobicContact CH2-CG 4.21Å
63	L	98.7	Very high	96.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.3	175.7	-59.7	-178.4	0	0	0	110.6	M61 V103 N105 M131 I152 F153 S154 E155 A162 I165	M61-L63 HydrophobicContact CE-CD1 4Å; M61-L63 HydrophobicContact CE-CD2 4.14Å; M61-L63 HydrophobicContact CE-CG 4.17Å; M61-L63 HydrophobicContact CG-CD2 4.15Å; M61-L63 HydrophobicContact CG-CG 4.41Å; M61-L63 HydrophobicContact SD-CD2 4.15Å; L63-V103 HydrophobicContact CD2-CB 4.17Å; L63-N105 HydrophobicContact CD2-CB 4.07Å; L63-M131 HydrophobicContact CD2-CE 3.85Å; L63-I152 HydrophobicContact CD1-CG2 3.86Å; L63-I152 HydrophobicContact CG-CG2 4.27Å; L63-F153 PolarHBondContact N-O 2.98Å; L63-S154 WeakPolarHBondContact O-CA 3.23Å; L63-S154 WeakPolarHBondContact O-CB 2.98Å; L63-E155 PolarHBondContact O-N 3.06Å; L63-E155 VanDerWaalsContact O-N 3.13Å; L63-A162 HydrophobicContact CD1-CB 4.15Å; L63-I165 HydrophobicContact CD1-CD1 3.56Å
64	Q	97.9	Very high	97.1	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.023	8%	0.077	C	C	.	.			trans	-73.2	160	169.4	-168	40.5	-82.6	0	0	110	F74 E79 E155 M161	Q64-F74 HydrophobicContact CG-CD1 4.27Å; Q64-E79 PolarHBondContact NE2-OE2 2.89Å; Q64-E155 PolarHBondContact NE2-OE1 3.34Å; Q64-E155 PolarHBondContact OE1-OE1 3.39Å; Q64-M161 VanDerWaalsContact O-CE 3.28Å; Q64-M161 WeakPolarHBondContact O-CE 3.36Å
65	G	96.6	Very high	97.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.			trans	-97.5	-125.1	-176.6	0	0	0	0	0	114.6	P67 G68 G69 E155	G65-P67 CarbonylContact O-C 3.5Å; G65-P67 WeakPolarHBondContact O-CA 3.4Å; G65-G68 PolarHBondContact O-N 3.3Å; G65-G69 WeakPolarHBondContact O-CA 3.24Å; G65-G69 PolarHBondContact O-N 3.48Å; G65-E155 PolarHBondContact N-O 3.35Å
66	G	94.1	Very high	97.4	Very high	10 Å²	10	8.2 Å²	8.2	10%	0.103	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.5	-94.2	-164.1	0	0	0	0	0	111.2
67	P	95.4	Very high	97.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	cis	-71.9	146.4	8.4	24.1	-30.8	0	0	0	114	G65 Y157 I287 V323 F324 M327	G65-P67 CarbonylContact O-C 3.5Å; G65-P67 WeakPolarHBondContact O-CA 3.4Å; P67-Y157 HydrophobicContact CB-CD1 3.53Å; P67-Y157 HydrophobicContact CB-CE1 3.75Å; P67-Y157 HydrophobicContact CB-CG 4.22Å; P67-Y157 HydrophobicContact CG-CD1 3.82Å; P67-Y157 HydrophobicContact CG-CE1 3.83Å; P67-Y157 HydrophobicContact CG-CG 4.18Å; P67-I287 WeakPolarHBondContact O-CD1 3.5Å; P67-V323 HydrophobicContact CB-CG1 4.13Å; P67-F324 HydrophobicContact CG-CD2 4.12Å; P67-M327 HydrophobicContact CB-CB 4.44Å; P67-M327 HydrophobicContact CB-SD 3.66Å; P67-M327 HydrophobicContact CG-CB 3.69Å; P67-M327 HydrophobicContact CG-CG 4.29Å; P67-M327 HydrophobicContact CG-SD 3.93Å
68	G	95.3	Very high	97.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.3	-3.1	-176	0	0	0	0	0	114.1	G65 T109 H291 A320	G65-G68 PolarHBondContact O-N 3.3Å; G68-T109 WeakPolarHBondContact CA-OG1 3.5Å; G68-H291 PolarHBondContact O-CE1 3.15Å; G68-A320 WeakPolarHBondContact O-CB 3.28Å
69	G	96.1	Very high	97.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.			trans	-76.4	129.2	175.5	0	0	0	0	0	112.2	G65 T109	G65-G69 WeakPolarHBondContact O-CA 3.24Å; G65-G69 PolarHBondContact O-N 3.48Å; G69-T109 VanDerWaalsContact C-CG2 3.47Å; G69-T109 WeakPolarHBondContact O-CG2 3.22Å
70	S	98	Very high	97.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.			trans	-79.3	121.9	-175.4	171.8	0	0	0	0	112.6	S72 G73 F74 G75 D104 W316	S70-S72 PolarHBondContact OG-N 3.25Å; S70-S72 PolarHBondContact OG-OG 2.99Å; S70-G73 PolarHBondContact OG-N 3.17Å; S70-F74 WeakPolarHBondContact O-CA 3.32Å; S70-F74 WeakPolarHBondContact O-CB 3.38Å; S70-F74 PolarHBondContact O-N 2.9Å; S70-G75 PolarHBondContact O-N 2.74Å; S70-D104 WeakPolarHBondContact CA-OD1 3.35Å; S70-D104 WeakPolarHBondContact CB-OD1 3.46Å; S70-D104 PolarHBondContact OG-OD1 2.9Å; S70-D104 PolarHBondContact OG-OD2 2.95Å; S70-W316 PolarHBondContact OG-NE1 3.22Å
71	G	97.8	Very high	97.3	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	I	π-helix	trans	-69	-40.2	170.4	0	0	0	0	0	111.9	G73 G75 N76 F102 D104	G71-G73 VanDerWaalsContact C-N 3.3Å; G71-G73 PolarHBondContact O-N 3Å; G71-G75 PolarHBondContact O-N 3.3Å; G71-N76 PolarHBondContact O-N 3.09Å; G71-N76 VanDerWaalsContact O-N 3.07Å; G71-F102 WeakPolarHBondContact O-CD1 3.44Å; G71-D104 PolarHBondContact N-OD1 2.99Å; G71-D104 VanDerWaalsContact N-OD1 3.12Å
72	S	97.5	Very high	97.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.02	C	C	.	.	I	π-helix	trans	-73.3	-22	-177.8	82.1	0	0	0	0	113.9	S70 N76 D104	S70-S72 PolarHBondContact OG-N 3.25Å; S70-S72 PolarHBondContact OG-OG 2.99Å; S72-N76 WeakPolarHBondContact O-CB 3.37Å; S72-N76 PolarHBondContact O-ND2 2.87Å; S72-D104 WeakPolarHBondContact CB-OD1 3.32Å; S72-D104 PolarHBondContact N-OD1 3.46Å; S72-D104 PolarHBondContact OG-OD1 3.29Å; S72-D104 VanDerWaalsContact OG-OD1 3.09Å; S72-D104 PolarHBondContact OG-OD2 2.89Å
73	G	97.8	Very high	96.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	I	π-helix	trans	-101.3	-75	176.8	0	0	0	0	0	112.3	S70 G71 N76 F77	S70-G73 PolarHBondContact OG-N 3.17Å; G71-G73 VanDerWaalsContact C-N 3.3Å; G71-G73 PolarHBondContact O-N 3Å; G73-N76 PolarHBondContact O-N 3.38Å; G73-F77 WeakPolarHBondContact O-CB 3.45Å; G73-F77 WeakPolarHBondContact O-CD2 3.35Å; G73-F77 PolarHBondContact O-N 3.05Å
74	F	97.8	Very high	96.7	Very high	18 Å²	18	6.1 Å²	6.1	8%	0.079	3%	0.033	C	C	.	.	I	π-helix	trans	-66.3	-54	-173.9	-169.9	-86	0	0	0	111.7	Q64 S70 N76 F77 E78 E79 L290 L295 M418	Q64-F74 HydrophobicContact CG-CD1 4.27Å; S70-F74 WeakPolarHBondContact O-CA 3.32Å; S70-F74 WeakPolarHBondContact O-CB 3.38Å; S70-F74 PolarHBondContact O-N 2.9Å; F74-N76 PolarHBondContact O-N 2.9Å; F74-F77 PolarHBondContact O-N 3.25Å; F74-E78 HydrophobicContact CD1-CB 4.44Å; F74-E78 HydrophobicContact CD2-CB 4.23Å; F74-E78 HydrophobicContact CD2-CG 3.9Å; F74-E78 HydrophobicContact CE1-CB 4.38Å; F74-E78 HydrophobicContact CE2-CB 4.17Å; F74-E78 HydrophobicContact CE2-CG 4.01Å; F74-E78 HydrophobicContact CG-CB 4.37Å; F74-E78 HydrophobicContact CG-CG 4.39Å; F74-E78 HydrophobicContact CZ-CB 4.24Å; F74-E78 WeakPolarHBondContact O-CA 3.46Å; F74-E78 WeakPolarHBondContact O-CB 3.37Å; F74-E78 PolarHBondContact O-N 2.88Å; F74-E79 HydrophobicContact CD1-CG 4.15Å; F74-E79 WeakPolarHBondContact CD1-OE2 3.37Å; F74-E79 HydrophobicContact CE1-CG 3.92Å; F74-E79 PolarHBondContact O-N 2.89Å; F74-L290 HydrophobicContact CD1-CD2 4.17Å; F74-L290 HydrophobicContact CD2-CB 4.11Å; F74-L290 HydrophobicContact CD2-CD2 3.77Å; F74-L290 HydrophobicContact CE1-CD2 3.99Å; F74-L290 HydrophobicContact CE2-CD2 3.58Å; F74-L290 HydrophobicContact CG-CD2 4.06Å; F74-L290 HydrophobicContact CZ-CD2 3.7Å; F74-L295 HydrophobicContact CB-CD2 4.25Å; F74-L295 HydrophobicContact CD2-CD2 4.11Å; F74-M418 HydrophobicContact CE1-CE 4.37Å; F74-M418 HydrophobicContact CE1-CG 4.22Å; F74-M418 HydrophobicContact CZ-CE 3.86Å; F74-M418 HydrophobicContact CZ-CG 4.41Å
75	G	97.8	Very high	96.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-57.7	-37.4	178.2	0	0	0	0	0	113.5	S70 G71 E79 I80	S70-G75 PolarHBondContact O-N 2.74Å; G71-G75 PolarHBondContact O-N 3.3Å; G75-E79 WeakPolarHBondContact CA-OE2 3.42Å; G75-I80 VanDerWaalsContact O-CG1 3.27Å; G75-I80 WeakPolarHBondContact O-CG1 3.38Å; G75-I80 PolarHBondContact O-N 3.09Å
76	N	97.9	Very high	96.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-72.6	-59.2	178.1	-168.1	7.6	0	0	0	112.1	Y45 G71 S72 G73 F74 G81 P82 F102	Y45-N76 WeakPolarHBondContact CE2-ND2 3.48Å; Y45-N76 PolarHBondContact OH-ND2 2.97Å; G71-N76 PolarHBondContact O-N 3.09Å; G71-N76 VanDerWaalsContact O-N 3.07Å; S72-N76 WeakPolarHBondContact O-CB 3.37Å; S72-N76 PolarHBondContact O-ND2 2.87Å; G73-N76 PolarHBondContact O-N 3.38Å; F74-N76 PolarHBondContact O-N 2.9Å; N76-G81 WeakPolarHBondContact O-CA 3.19Å; N76-G81 PolarHBondContact O-N 2.97Å; N76-G81 WeakPolarHBondContact OD1-CA 3.38Å; N76-P82 WeakPolarHBondContact OD1-CD 3.4Å; N76-F102 HydrophobicContact CB-CD1 4.18Å; N76-F102 HydrophobicContact CB-CD2 4.23Å; N76-F102 HydrophobicContact CB-CE1 4.02Å; N76-F102 HydrophobicContact CB-CE2 4.08Å; N76-F102 HydrophobicContact CB-CG 4.27Å; N76-F102 HydrophobicContact CB-CZ 3.98Å
77	F	97.3	Very high	96	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.009	8%	0.084	C	C	.	.	I	π-helix	trans	-92.7	-17.6	-167	-65.6	-77	0	0	0	114.9	W43 G73 F74 L83 N84 R85 L87 R90 L295 L298 M299 I303	W43-F77 HydrophobicContact CH2-CE2 4.37Å; W43-F77 AromaticContact CH2-CZ 3.94Å; W43-F77 HydrophobicContact CH2-CZ 3.94Å; W43-F77 AromaticContact CZ3-CE2 3.91Å; W43-F77 HydrophobicContact CZ3-CE2 3.91Å; W43-F77 AromaticContact CZ3-CZ 3.96Å; W43-F77 HydrophobicContact CZ3-CZ 3.96Å; G73-F77 WeakPolarHBondContact O-CB 3.45Å; G73-F77 WeakPolarHBondContact O-CD2 3.35Å; G73-F77 PolarHBondContact O-N 3.05Å; F74-F77 PolarHBondContact O-N 3.25Å; F77-L83 HydrophobicContact CD1-CB 4.25Å; F77-L83 HydrophobicContact CE1-CB 4.24Å; F77-N84 CarbonylContact O-C 3.32Å; F77-N84 VanDerWaalsContact O-C 3.29Å; F77-N84 WeakPolarHBondContact O-CA 3.11Å; F77-R85 PolarHBondContact O-N 3.22Å; F77-L87 HydrophobicContact CD1-CD2 4.5Å; F77-L87 HydrophobicContact CE1-CD2 4.06Å; F77-R90 PolarHBondContact O-NH2 3Å; F77-L295 HydrophobicContact CB-CD1 3.95Å; F77-L298 HydrophobicContact CB-CD2 4.17Å; F77-L298 HydrophobicContact CD1-CD2 3.89Å; F77-L298 HydrophobicContact CD2-CD2 4.19Å; F77-L298 HydrophobicContact CE1-CD2 4.35Å; F77-L298 HydrophobicContact CG-CD2 3.81Å; F77-M299 HydrophobicContact CD2-SD 3.67Å; F77-M299 HydrophobicContact CE2-CE 4.35Å; F77-M299 HydrophobicContact CE2-SD 3.52Å; F77-M299 VanDerWaalsContact CE2-SD 3.52Å; F77-I303 HydrophobicContact CE1-CD1 4.09Å; F77-I303 HydrophobicContact CE2-CD1 4.3Å; F77-I303 HydrophobicContact CE2-CG1 4.2Å; F77-I303 HydrophobicContact CZ-CD1 3.55Å; F77-I303 HydrophobicContact CZ-CG1 3.93Å
78	E	96.2	Very high	95.9	Very high	33 Å²	33	22.8 Å²	22.8	15%	0.154	11%	0.109	C	C	.	.	I	π-helix	trans	-98.6	-33	176	-62	-73.1	-177.3	0	0	110.9	F74 R85 R90 L295 S421	F74-E78 HydrophobicContact CD1-CB 4.44Å; F74-E78 HydrophobicContact CD2-CB 4.23Å; F74-E78 HydrophobicContact CD2-CG 3.9Å; F74-E78 HydrophobicContact CE1-CB 4.38Å; F74-E78 HydrophobicContact CE2-CB 4.17Å; F74-E78 HydrophobicContact CE2-CG 4.01Å; F74-E78 HydrophobicContact CG-CB 4.37Å; F74-E78 HydrophobicContact CG-CG 4.39Å; F74-E78 HydrophobicContact CZ-CB 4.24Å; F74-E78 WeakPolarHBondContact O-CA 3.46Å; F74-E78 WeakPolarHBondContact O-CB 3.37Å; F74-E78 PolarHBondContact O-N 2.88Å; E78-R85 VanDerWaalsContact OE1-CD 3.25Å; E78-R85 WeakPolarHBondContact OE1-CD 3.18Å; E78-R85 IonicContact OE1-NH1 3.69Å; E78-R85 IonicContact OE2-NH1 3.96Å; E78-R90 VanDerWaalsContact C-NH2 3.29Å; E78-R90 PolarHBondContact O-NH1 2.86Å; E78-R90 PolarHBondContact O-NH2 3.41Å; E78-L295 HydrophobicContact CG-CD2 4.03Å; E78-S421 PolarHBondContact O-OG 3.46Å
79	E	97.4	Very high	95.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.136	C	C	.	.	I	π-helix	trans	-112.8	-77.3	-166.7	-52.3	-174.9	77.9	0	0	115.4	Q64 F74 G75 R90 P420	Q64-E79 PolarHBondContact NE2-OE2 2.89Å; F74-E79 HydrophobicContact CD1-CG 4.15Å; F74-E79 WeakPolarHBondContact CD1-OE2 3.37Å; F74-E79 HydrophobicContact CE1-CG 3.92Å; F74-E79 PolarHBondContact O-N 2.89Å; G75-E79 WeakPolarHBondContact CA-OE2 3.42Å; E79-R90 WeakPolarHBondContact O-CD 3.31Å; E79-R90 VanDerWaalsContact O-CZ 3.23Å; E79-R90 PolarHBondContact O-NE 3.29Å; E79-R90 PolarHBondContact O-NH1 3.38Å; E79-R90 VanDerWaalsContact O-NH1 3.1Å; E79-P420 HydrophobicContact CB-CB 4.3Å
80	I	98.3	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-116.6	-12.4	-160.7	60.4	159.1	0	0	0	114.6	W62 G75 S93 W94 V100 F102 P420	W62-I80 HydrophobicContact CB-CD1 3.93Å; W62-I80 HydrophobicContact CD2-CD1 3.54Å; W62-I80 HydrophobicContact CD2-CG1 4.33Å; W62-I80 HydrophobicContact CE3-CD1 3.6Å; W62-I80 HydrophobicContact CG-CD1 3.69Å; W62-I80 HydrophobicContact CZ3-CD1 4.31Å; G75-I80 VanDerWaalsContact O-CG1 3.27Å; G75-I80 WeakPolarHBondContact O-CG1 3.38Å; G75-I80 PolarHBondContact O-N 3.09Å; I80-S93 WeakPolarHBondContact O-CA 3.49Å; I80-S93 PolarHBondContact O-OG 2.98Å; I80-W94 HydrophobicContact CB-CB 4.18Å; I80-W94 HydrophobicContact CB-CD2 3.91Å; I80-W94 HydrophobicContact CB-CG 3.73Å; I80-W94 HydrophobicContact CD1-CD2 3.99Å; I80-W94 HydrophobicContact CD1-CE3 3.7Å; I80-W94 HydrophobicContact CD1-CG 4.35Å; I80-W94 HydrophobicContact CD1-CZ3 4.28Å; I80-W94 HydrophobicContact CG2-CD2 3.73Å; I80-W94 HydrophobicContact CG2-CE3 4.37Å; I80-W94 HydrophobicContact CG2-CG 3.93Å; I80-W94 HydrophobicContact CG2-CZ2 4.07Å; I80-W94 PolarHBondContact O-N 2.88Å; I80-V100 HydrophobicContact CD1-CG1 4.19Å; I80-F102 HydrophobicContact CD1-CE1 3.73Å; I80-F102 HydrophobicContact CD1-CZ 4.09Å; I80-F102 HydrophobicContact CG1-CE1 3.66Å; I80-F102 HydrophobicContact CG1-CZ 3.89Å; I80-P420 HydrophobicContact CG2-CB 3.41Å; I80-P420 VanDerWaalsContact CG2-CB 3.41Å; I80-P420 HydrophobicContact CG2-CG 3.59Å
81	G	97.3	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-67.8	175	-179.6	0	0	0	0	0	113.4	N76 L83 R90 S93	N76-G81 WeakPolarHBondContact O-CA 3.19Å; N76-G81 PolarHBondContact O-N 2.97Å; N76-G81 WeakPolarHBondContact OD1-CA 3.38Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 2.97Å; G81-R90 VanDerWaalsContact O-CD 3.32Å; G81-R90 WeakPolarHBondContact O-CD 3.5Å; G81-R90 PolarHBondContact O-NE 3.35Å; G81-S93 VanDerWaalsContact C-OG 3.28Å; G81-S93 WeakPolarHBondContact O-CB 3.48Å; G81-S93 PolarHBondContact O-OG 3.49Å
82	P	95.6	Very high	95.4	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.039	20%	0.195	C	C	.	.	S	Bend	trans	-73.4	-23.6	-173.8	31.4	-37.6	0	0	0	113.6	L23 Y45 N76 P89 R90 S93	L23-P82 HydrophobicContact CD1-CB 3.32Å; L23-P82 HydrophobicContact CD1-CG 3.43Å; L23-P82 VanDerWaalsContact CD1-CG 3.43Å; L23-P82 HydrophobicContact CD2-CB 3.75Å; L23-P82 HydrophobicContact CG-CB 3.64Å; L23-P82 HydrophobicContact CG-CG 4.26Å; Y45-P82 HydrophobicContact CD1-CG 3.89Å; Y45-P82 HydrophobicContact CE1-CG 3.58Å; N76-P82 WeakPolarHBondContact OD1-CD 3.4Å; P82-P89 WeakPolarHBondContact O-CA 3.24Å; P82-R90 PolarHBondContact O-N 2.83Å; P82-S93 VanDerWaalsContact CA-OG 3.32Å; P82-S93 WeakPolarHBondContact CA-OG 3.34Å
83	L	94.6	Very high	95.4	Very high	18 Å²	18	40.6 Å²	40.6	9%	0.094	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-119.7	150.4	-178.4	-65.1	-178.5	0	0	0	110.1	P22 F77 G81 L87 E88	P22-L83 HydrophobicContact CG-CD2 3.39Å; P22-L83 HydrophobicContact CG-CG 4.42Å; F77-L83 HydrophobicContact CD1-CB 4.25Å; F77-L83 HydrophobicContact CE1-CB 4.24Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 2.97Å; L83-L87 HydrophobicContact CD1-CB 4.47Å; L83-L87 HydrophobicContact CD1-CD2 3.88Å; L83-E88 CarbonylContact C-O 3.51Å; L83-E88 VanDerWaalsContact CA-O 3.25Å; L83-E88 WeakPolarHBondContact CA-O 3.43Å
84	N	93.3	Very high	95.4	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.193	20%	0.198	C	C	.	.			trans	-82.8	177	163.2	71.7	11.5	0	0	0	110.8	F77 D86 L87 E88	F77-N84 CarbonylContact O-C 3.32Å; F77-N84 VanDerWaalsContact O-C 3.29Å; F77-N84 WeakPolarHBondContact O-CA 3.11Å; N84-D86 PolarHBondContact O-N 3.13Å; N84-D86 WeakPolarHBondContact OD1-CA 3.47Å; N84-D86 PolarHBondContact OD1-N 2.98Å; N84-L87 WeakPolarHBondContact O-CA 3.38Å; N84-L87 PolarHBondContact O-N 3.43Å; N84-L87 PolarHBondContact OD1-N 3.39Å; N84-E88 PolarHBondContact N-O 3.32Å; N84-E88 PolarHBondContact ND2-OE2 3.41Å; N84-E88 VanDerWaalsContact ND2-OE2 3.08Å; N84-E88 WeakPolarHBondContact OD1-CB 3.42Å; N84-E88 PolarHBondContact OD1-N 2.89Å
85	R	91.4	Very high	95.3	Very high	100 Å²	100	39.9 Å²	39.9	38%	0.377	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.7	177.3	73.2	-170.6	-179.9	-148.4	-2.8	114.5	F77 E78 L87 L298	F77-R85 PolarHBondContact O-N 3.22Å; E78-R85 VanDerWaalsContact OE1-CD 3.25Å; E78-R85 WeakPolarHBondContact OE1-CD 3.18Å; E78-R85 IonicContact OE1-NH1 3.69Å; E78-R85 IonicContact OE2-NH1 3.96Å; R85-L87 PolarHBondContact O-N 2.8Å; R85-L298 HydrophobicContact CB-CD2 4.47Å; R85-L298 WeakPolarHBondContact O-CD2 3.4Å
86	D	91.6	Very high	95.2	Very high	105 Å²	105	42.6 Å²	42.6	56%	0.561	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	7.7	177.5	-57.3	-52.4	0	0	0	111.5	N84 E88	N84-D86 PolarHBondContact O-N 3.13Å; N84-D86 WeakPolarHBondContact OD1-CA 3.47Å; N84-D86 PolarHBondContact OD1-N 2.98Å; D86-E88 VanDerWaalsContact C-N 3.25Å; D86-E88 HydrophobicContact CB-CG 4.24Å; D86-E88 PolarHBondContact O-N 3.49Å
87	L	92.4	Very high	95.2	Very high	47 Å²	47	42.6 Å²	42.6	25%	0.246	21%	0.207	C	C	.	.	S	Bend	trans	62.7	27.1	-177.6	-59.8	175.1	0	0	0	114	L19 F77 L83 N84 R85 L298 I303	L19-L87 HydrophobicContact CD1-CD1 4.08Å; L19-L87 HydrophobicContact CD2-CD1 3.9Å; F77-L87 HydrophobicContact CD1-CD2 4.5Å; F77-L87 HydrophobicContact CE1-CD2 4.06Å; L83-L87 HydrophobicContact CD1-CB 4.47Å; L83-L87 HydrophobicContact CD1-CD2 3.88Å; N84-L87 WeakPolarHBondContact O-CA 3.38Å; N84-L87 PolarHBondContact O-N 3.43Å; N84-L87 PolarHBondContact OD1-N 3.39Å; R85-L87 PolarHBondContact O-N 2.8Å; L87-L298 HydrophobicContact CD1-CD1 3.98Å; L87-L298 HydrophobicContact CD2-CD1 3.82Å; L87-L298 HydrophobicContact CG-CD1 3.83Å; L87-I303 HydrophobicContact CD2-CD1 4.39Å
88	E	93	Very high	95.2	Very high	112 Å²	112	42.5 Å²	42.5	52%	0.523	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-93	146.4	174.5	-51.7	179	134.7	0	0	111.4	L83 N84 D86	L83-E88 CarbonylContact C-O 3.51Å; L83-E88 VanDerWaalsContact CA-O 3.25Å; L83-E88 WeakPolarHBondContact CA-O 3.43Å; N84-E88 PolarHBondContact N-O 3.32Å; N84-E88 PolarHBondContact ND2-OE2 3.41Å; N84-E88 VanDerWaalsContact ND2-OE2 3.08Å; N84-E88 WeakPolarHBondContact OD1-CB 3.42Å; N84-E88 PolarHBondContact OD1-N 2.89Å; D86-E88 VanDerWaalsContact C-N 3.25Å; D86-E88 HydrophobicContact CB-CG 4.24Å; D86-E88 PolarHBondContact O-N 3.49Å
89	P	93.3	Very high	95.3	Very high	90 Å²	90	40.9 Å²	40.9	58%	0.584	20%	0.2	S	C	*	.	B	Isolated β-bridge	trans	-61.8	136.3	-179.8	-15.4	25.8	0	0	0	113.5	P22 P82	P22-P89 HydrophobicContact CB-CB 4Å; P22-P89 HydrophobicContact CB-CG 3.68Å; P22-P89 HydrophobicContact CG-CB 3.91Å; P22-P89 HydrophobicContact CG-CG 3.79Å; P82-P89 WeakPolarHBondContact O-CA 3.24Å
90	R	93.7	Very high	95.4	Very high	47 Å²	47	40.9 Å²	40.9	18%	0.177	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-95.3	120.2	176.9	-171.8	-179.3	-57.6	-91.2	-4.3	111.8	F77 E78 E79 G81 P82 T92 S93	F77-R90 PolarHBondContact O-NH2 3Å; E78-R90 VanDerWaalsContact C-NH2 3.29Å; E78-R90 PolarHBondContact O-NH1 2.86Å; E78-R90 PolarHBondContact O-NH2 3.41Å; E79-R90 WeakPolarHBondContact O-CD 3.31Å; E79-R90 VanDerWaalsContact O-CZ 3.23Å; E79-R90 PolarHBondContact O-NE 3.29Å; E79-R90 PolarHBondContact O-NH1 3.38Å; E79-R90 VanDerWaalsContact O-NH1 3.1Å; G81-R90 VanDerWaalsContact O-CD 3.32Å; G81-R90 WeakPolarHBondContact O-CD 3.5Å; G81-R90 PolarHBondContact O-NE 3.35Å; P82-R90 PolarHBondContact O-N 2.83Å; R90-T92 PolarHBondContact O-N 3.41Å; R90-S93 PolarHBondContact O-N 3.03Å
91	K	93.6	Very high	95.4	Very high	196 Å²	196	40.9 Å²	40.9	85%	0.852	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.6	178.3	-66.4	-177.9	-179.1	176	0	114.3
92	T	95.8	Very high	95.5	Very high	34 Å²	34	40.9 Å²	40.9	21%	0.209	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	21.7	-177.6	53	0	0	0	0	112	R90 W94 A425	R90-T92 PolarHBondContact O-N 3.41Å; T92-W94 PolarHBondContact O-N 2.8Å; T92-A425 HydrophobicContact CG2-CB 4.39Å
93	S	96.8	Very high	95.7	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.049	20%	0.198	C	C	.	.			trans	-58.2	137.3	178.6	-176.8	0	0	0	0	111.1	I80 G81 P82 R90 V95 Q96	I80-S93 WeakPolarHBondContact O-CA 3.49Å; I80-S93 PolarHBondContact O-OG 2.98Å; G81-S93 VanDerWaalsContact C-OG 3.28Å; G81-S93 WeakPolarHBondContact O-CB 3.48Å; G81-S93 PolarHBondContact O-OG 3.49Å; P82-S93 VanDerWaalsContact CA-OG 3.32Å; P82-S93 WeakPolarHBondContact CA-OG 3.34Å; R90-S93 PolarHBondContact O-N 3.03Å; S93-V95 PolarHBondContact O-N 3.15Å; S93-V95 PolarHBondContact OG-N 3.24Å; S93-Q96 VanDerWaalsContact O-CG 3.25Å; S93-Q96 WeakPolarHBondContact O-CG 3.41Å; S93-Q96 PolarHBondContact O-N 3.46Å
94	W	98.1	Very high	95.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-72.5	-18.7	175.5	-74.8	22.2	0	0	0	112.5	V60 W62 I80 T92 Q96 A97 A98 V100 F153 P420 L431	V60-W94 HydrophobicContact CG1-CE3 4.3Å; V60-W94 HydrophobicContact CG1-CZ3 4.3Å; W62-W94 HydrophobicContact CE3-CH2 4.21Å; W62-W94 AromaticContact CE3-CZ3 3.86Å; W62-W94 HydrophobicContact CE3-CZ3 3.86Å; W62-W94 AromaticContact CZ3-CH2 3.65Å; W62-W94 HydrophobicContact CZ3-CH2 3.65Å; W62-W94 HydrophobicContact CZ3-CZ2 4.43Å; W62-W94 AromaticContact CZ3-CZ3 3.78Å; W62-W94 HydrophobicContact CZ3-CZ3 3.78Å; I80-W94 HydrophobicContact CB-CB 4.18Å; I80-W94 HydrophobicContact CB-CD2 3.91Å; I80-W94 HydrophobicContact CB-CG 3.73Å; I80-W94 HydrophobicContact CD1-CD2 3.99Å; I80-W94 HydrophobicContact CD1-CE3 3.7Å; I80-W94 HydrophobicContact CD1-CG 4.35Å; I80-W94 HydrophobicContact CD1-CZ3 4.28Å; I80-W94 HydrophobicContact CG2-CD2 3.73Å; I80-W94 HydrophobicContact CG2-CE3 4.37Å; I80-W94 HydrophobicContact CG2-CG 3.93Å; I80-W94 HydrophobicContact CG2-CZ2 4.07Å; I80-W94 PolarHBondContact O-N 2.88Å; T92-W94 PolarHBondContact O-N 2.8Å; W94-Q96 PolarHBondContact O-N 3.48Å; W94-Q96 VanDerWaalsContact O-N 3.11Å; W94-A97 PolarHBondContact O-N 2.7Å; W94-A98 PolarHBondContact O-N 3.44Å; W94-V100 HydrophobicContact CB-CG2 4.13Å; W94-F153 HydrophobicContact CH2-CB 4.45Å; W94-F153 AromaticContact CH2-CD1 3.42Å; W94-F153 HydrophobicContact CH2-CD1 3.42Å; W94-F153 VanDerWaalsContact CH2-CD1 3.42Å; W94-F153 AromaticContact CH2-CE1 3.87Å; W94-F153 HydrophobicContact CH2-CE1 3.87Å; W94-F153 HydrophobicContact CH2-CG 4.14Å; W94-F153 HydrophobicContact CZ3-CB 3.93Å; W94-F153 AromaticContact CZ3-CD1 3.49Å; W94-F153 HydrophobicContact CZ3-CD1 3.49Å; W94-F153 VanDerWaalsContact CZ3-CD1 3.49Å; W94-F153 HydrophobicContact CZ3-CD2 4.5Å; W94-F153 HydrophobicContact CZ3-CE1 4.06Å; W94-F153 AromaticContact CZ3-CG 3.72Å; W94-F153 HydrophobicContact CZ3-CG 3.72Å; W94-P420 HydrophobicContact CZ2-CG 4.28Å; W94-L431 HydrophobicContact CB-CD2 3.82Å; W94-L431 HydrophobicContact CD2-CD2 3.64Å; W94-L431 HydrophobicContact CD2-CG 4.46Å; W94-L431 HydrophobicContact CE3-CD1 4.11Å; W94-L431 HydrophobicContact CE3-CD2 3.84Å; W94-L431 HydrophobicContact CE3-CG 4.43Å; W94-L431 HydrophobicContact CG-CD2 3.65Å; W94-L431 HydrophobicContact CZ2-CB 4.42Å; W94-L431 HydrophobicContact CZ3-CD1 4.14Å
95	V	96.8	Very high	96.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.6	177	-179.9	0	0	0	0	112	L23 Y45 Y46 A47 D48 S93 A97 A98 V100	L23-V95 HydrophobicContact CD1-CG1 4.49Å; L23-V95 HydrophobicContact CD2-CG1 4.24Å; Y45-V95 HydrophobicContact CG-CG2 4.35Å; Y46-V95 VanDerWaalsContact O-CG1 3.25Å; Y46-V95 WeakPolarHBondContact O-CG1 3.37Å; A47-V95 CarbonylContact C-O 3.55Å; A47-V95 VanDerWaalsContact CA-O 3.22Å; A47-V95 WeakPolarHBondContact CA-O 3.25Å; D48-V95 HydrophobicContact CB-CG1 4.1Å; D48-V95 PolarHBondContact N-O 3.13Å; S93-V95 PolarHBondContact O-N 3.15Å; S93-V95 PolarHBondContact OG-N 3.24Å; V95-A97 PolarHBondContact O-N 3.36Å; V95-A98 WeakPolarHBondContact CA-O 3.34Å; V95-V100 HydrophobicContact CG2-CB 4.38Å; V95-V100 HydrophobicContact CG2-CG2 4Å
96	Q	95.4	Very high	96.4	Very high	57 Å²	57	33.4 Å²	33.4	27%	0.266	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-74.4	-11.7	175.6	82.6	-177.4	16.3	0	0	114.4	D48 S49 S93 W94 L428	D48-Q96 WeakPolarHBondContact O-CA 3.23Å; S49-Q96 WeakPolarHBondContact CB-O 3.44Å; S49-Q96 PolarHBondContact OG-O 3.39Å; S49-Q96 VanDerWaalsContact OG-O 3.05Å; S93-Q96 VanDerWaalsContact O-CG 3.25Å; S93-Q96 WeakPolarHBondContact O-CG 3.41Å; S93-Q96 PolarHBondContact O-N 3.46Å; W94-Q96 PolarHBondContact O-N 3.48Å; W94-Q96 VanDerWaalsContact O-N 3.11Å; Q96-L428 HydrophobicContact CG-CD1 4.14Å; Q96-L428 HydrophobicContact CG-CD2 4.44Å
97	A	97.1	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-14.2	-175.9	0	0	0	0	0	112.9	W94 V95 L428 L431 K432 Q437	W94-A97 PolarHBondContact O-N 2.7Å; V95-A97 PolarHBondContact O-N 3.36Å; A97-L428 HydrophobicContact CB-CD1 4.17Å; A97-L431 HydrophobicContact CB-CD2 4.01Å; A97-K432 HydrophobicContact CB-CG 4.09Å; A97-Q437 PolarHBondContact O-NE2 2.78Å; A97-Q437 PolarHBondContact O-OE1 3.34Å
98	A	98.1	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-152.4	155.8	179.8	0	0	0	0	0	110.9	A47 P58 V60 W94 V95 V100	A47-A98 WeakPolarHBondContact CA-O 3.39Å; A47-A98 VanDerWaalsContact CB-C 3.44Å; P58-A98 HydrophobicContact CG-CB 3.99Å; P58-A98 WeakPolarHBondContact O-CA 3.26Å; V60-A98 HydrophobicContact CB-CB 4.15Å; V60-A98 HydrophobicContact CG2-CB 3.64Å; W94-A98 PolarHBondContact O-N 3.44Å; V95-A98 WeakPolarHBondContact CA-O 3.34Å; A98-V100 HydrophobicContact CB-CG2 4.43Å
99	S	98.6	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.6	157.2	-59	0	0	0	0	107.2	Y45 A47 P58 L59 V60	Y45-S99 CarbonylContact O-C 3.56Å; Y45-S99 VanDerWaalsContact O-CA 3.23Å; Y45-S99 WeakPolarHBondContact O-CA 3.49Å; Y45-S99 WeakPolarHBondContact O-CB 3.31Å; A47-S99 PolarHBondContact N-OG 3.43Å; P58-S99 PolarHBondContact O-N 3.03Å; L59-S99 WeakPolarHBondContact CA-O 3.35Å; V60-S99 PolarHBondContact N-O 2.97Å
100	V	98.8	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.8	-172.3	-172.5	0	0	0	0	110.3	L44 Y45 V60 I80 W94 V95 A98 F102	L44-V100 WeakPolarHBondContact CA-O 3.3Å; Y45-V100 PolarHBondContact N-O 2.86Å; Y45-V100 PolarHBondContact O-N 3.36Å; V60-V100 CarbonylContact O-C 3.53Å; V60-V100 WeakPolarHBondContact O-CA 3.24Å; I80-V100 HydrophobicContact CD1-CG1 4.19Å; W94-V100 HydrophobicContact CB-CG2 4.13Å; V95-V100 HydrophobicContact CG2-CB 4.38Å; V95-V100 HydrophobicContact CG2-CG2 4Å; A98-V100 HydrophobicContact CB-CG2 4.43Å; V100-F102 HydrophobicContact CB-CE2 4.17Å; V100-F102 HydrophobicContact CB-CZ 4.41Å; V100-F102 HydrophobicContact CG1-CD1 4.39Å; V100-F102 HydrophobicContact CG1-CD2 4.13Å; V100-F102 HydrophobicContact CG1-CE1 3.96Å; V100-F102 HydrophobicContact CG1-CE2 3.67Å; V100-F102 HydrophobicContact CG1-CG 4.47Å; V100-F102 HydrophobicContact CG1-CZ 3.58Å
101	L	98.9	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.1	173.8	178.5	64.8	0	0	0	109.3	W42 L44 L59 V60 M61 W62 V103 F138	W42-L101 HydrophobicContact CB-CD1 3.99Å; W42-L101 HydrophobicContact CD2-CD1 4.26Å; W42-L101 HydrophobicContact CE3-CD1 3.74Å; W42-L101 HydrophobicContact CG-CD1 4.4Å; L44-L101 HydrophobicContact CB-CD1 4.15Å; L44-L101 HydrophobicContact CD1-CB 4.24Å; L59-L101 HydrophobicContact CD1-CB 4.14Å; V60-L101 PolarHBondContact O-N 2.91Å; M61-L101 CarbonylContact C-O 3.58Å; M61-L101 VanDerWaalsContact CA-O 3.27Å; M61-L101 WeakPolarHBondContact CA-O 3.39Å; M61-L101 HydrophobicContact CB-CB 4.4Å; M61-L101 HydrophobicContact CB-CD2 4.45Å; M61-L101 HydrophobicContact CG-CD2 4.4Å; M61-L101 HydrophobicContact CG-CG 4.5Å; M61-L101 HydrophobicContact SD-CD2 4.35Å; W62-L101 PolarHBondContact N-O 3.03Å; L101-V103 HydrophobicContact CD2-CG2 4.23Å; L101-V103 HydrophobicContact CG-CG2 3.91Å; L101-F138 HydrophobicContact CD1-CD2 4.17Å; L101-F138 HydrophobicContact CD1-CE2 3.78Å; L101-F138 HydrophobicContact CD1-CZ 4.36Å; L101-F138 HydrophobicContact CD2-CD1 4.29Å; L101-F138 HydrophobicContact CD2-CD2 4.22Å; L101-F138 HydrophobicContact CD2-CE1 4.18Å; L101-F138 HydrophobicContact CD2-CE2 4.09Å; L101-F138 HydrophobicContact CD2-CG 4.32Å; L101-F138 HydrophobicContact CD2-CZ 4.08Å
102	F	98.9	Very high	98	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.2	169.5	-63.1	-77.8	0	0	0	109.6	W42 W43 Y45 W62 G71 N76 I80 V100	W42-F102 CarbonylContact C-O 3.35Å; W42-F102 VanDerWaalsContact CA-O 3.32Å; W42-F102 WeakPolarHBondContact CA-O 3.43Å; W43-F102 PolarHBondContact N-O 3.35Å; W43-F102 PolarHBondContact O-N 3.17Å; Y45-F102 AromaticContact CD2-CD2 3.73Å; Y45-F102 HydrophobicContact CD2-CD2 3.73Å; Y45-F102 AromaticContact CD2-CE2 3.63Å; Y45-F102 HydrophobicContact CD2-CE2 3.63Å; Y45-F102 AromaticContact CE2-CD2 3.81Å; Y45-F102 HydrophobicContact CE2-CD2 3.81Å; Y45-F102 AromaticContact CE2-CE2 3.81Å; Y45-F102 HydrophobicContact CE2-CE2 3.81Å; W62-F102 HydrophobicContact CB-CD1 3.96Å; W62-F102 HydrophobicContact CB-CE1 4.15Å; W62-F102 HydrophobicContact CG-CD1 4.26Å; W62-F102 HydrophobicContact CG-CE1 4.26Å; G71-F102 WeakPolarHBondContact O-CD1 3.44Å; N76-F102 HydrophobicContact CB-CD1 4.18Å; N76-F102 HydrophobicContact CB-CD2 4.23Å; N76-F102 HydrophobicContact CB-CE1 4.02Å; N76-F102 HydrophobicContact CB-CE2 4.08Å; N76-F102 HydrophobicContact CB-CG 4.27Å; N76-F102 HydrophobicContact CB-CZ 3.98Å; I80-F102 HydrophobicContact CD1-CE1 3.73Å; I80-F102 HydrophobicContact CD1-CZ 4.09Å; I80-F102 HydrophobicContact CG1-CE1 3.66Å; I80-F102 HydrophobicContact CG1-CZ 3.89Å; V100-F102 HydrophobicContact CB-CE2 4.17Å; V100-F102 HydrophobicContact CB-CZ 4.41Å; V100-F102 HydrophobicContact CG1-CD1 4.39Å; V100-F102 HydrophobicContact CG1-CD2 4.13Å; V100-F102 HydrophobicContact CG1-CE1 3.96Å; V100-F102 HydrophobicContact CG1-CE2 3.67Å; V100-F102 HydrophobicContact CG1-CG 4.47Å; V100-F102 HydrophobicContact CG1-CZ 3.58Å
103	V	98.8	Very high	98.1	Very high	1 Å²	1	5 Å²	5	1%	0.006	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.2	175.8	-171.4	0	0	0	0	109.5	M40 W42 M61 L63 L101 N105 M131 L134	M40-V103 HydrophobicContact CE-CG1 3.74Å; W42-V103 HydrophobicContact CB-CG2 4.17Å; M61-V103 HydrophobicContact CG-CG2 3.92Å; M61-V103 HydrophobicContact SD-CG2 3.68Å; L63-V103 HydrophobicContact CD2-CB 4.17Å; L101-V103 HydrophobicContact CD2-CG2 4.23Å; L101-V103 HydrophobicContact CG-CG2 3.91Å; V103-N105 HydrophobicContact CG1-CB 4.21Å; V103-N105 PolarHBondContact O-N 3.45Å; V103-M131 HydrophobicContact CB-CE 4.38Å; V103-M131 HydrophobicContact CG1-CE 3.89Å; V103-M131 HydrophobicContact CG1-SD 4.48Å; V103-L134 HydrophobicContact CG1-CD1 3.73Å
104	D	98.8	Very high	98.2	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.			trans	-83.6	95.5	170.2	-81.2	-16.5	0	0	0	109.2	F41 S70 G71 S72 T109 F111 S112	F41-D104 HydrophobicContact CB-CB 4.46Å; F41-D104 PolarHBondContact O-N 2.89Å; F41-D104 VanDerWaalsContact O-N 3.08Å; S70-D104 WeakPolarHBondContact CA-OD1 3.35Å; S70-D104 WeakPolarHBondContact CB-OD1 3.46Å; S70-D104 PolarHBondContact OG-OD1 2.9Å; S70-D104 PolarHBondContact OG-OD2 2.95Å; G71-D104 PolarHBondContact N-OD1 2.99Å; G71-D104 VanDerWaalsContact N-OD1 3.12Å; S72-D104 WeakPolarHBondContact CB-OD1 3.32Å; S72-D104 PolarHBondContact N-OD1 3.46Å; S72-D104 PolarHBondContact OG-OD1 3.29Å; S72-D104 VanDerWaalsContact OG-OD1 3.09Å; S72-D104 PolarHBondContact OG-OD2 2.89Å; D104-T109 HydrophobicContact CB-CG2 4.24Å; D104-T109 WeakPolarHBondContact CB-O 3.25Å; D104-F111 PolarHBondContact OD2-N 3.31Å; D104-S112 VanDerWaalsContact CB-OG 3.3Å; D104-S112 WeakPolarHBondContact CB-OG 3.27Å; D104-S112 WeakPolarHBondContact O-CB 3.34Å; D104-S112 PolarHBondContact O-OG 3.01Å
105	N	98	Very high	98.1	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.011	5%	0.048	C	C	.	.			trans	-124.9	137.9	-171.3	175.3	74.1	0	0	0	110.7	M40 L63 V103 T109 V127 M131 M161	M40-N105 HydrophobicContact CE-CB 3.83Å; M40-N105 WeakPolarHBondContact CE-OD1 3.36Å; L63-N105 HydrophobicContact CD2-CB 4.07Å; V103-N105 HydrophobicContact CG1-CB 4.21Å; V103-N105 PolarHBondContact O-N 3.45Å; N105-T109 PolarHBondContact O-OG1 3.41Å; N105-V127 WeakPolarHBondContact ND2-CG1 3.43Å; N105-V127 WeakPolarHBondContact OD1-CG1 3.28Å; N105-M131 HydrophobicContact CB-CE 3.92Å; N105-M161 PolarHBondContact ND2-SD 3.01Å
106	P	98.4	Very high	98	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.07	C	C	.	.	S	Bend	cis	-79.9	-171.4	-4.9	36.1	-40	0	0	0	113.8	G108 T109 A121 V127 V323 M327	P106-G108 PolarHBondContact O-N 3.15Å; P106-T109 WeakPolarHBondContact CD-OG1 3.32Å; P106-T109 WeakPolarHBondContact O-CB 3.23Å; P106-T109 PolarHBondContact O-N 2.91Å; P106-T109 PolarHBondContact O-OG1 3.26Å; P106-A121 HydrophobicContact CB-CB 4.25Å; P106-V127 HydrophobicContact CB-CG1 4.4Å; P106-V127 HydrophobicContact CB-CG2 3.87Å; P106-V127 HydrophobicContact CG-CG2 4.47Å; P106-V323 HydrophobicContact CG-CG1 3.45Å; P106-V323 VanDerWaalsContact CG-CG1 3.45Å; P106-M327 HydrophobicContact CG-SD 3.97Å
107	V	98.7	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	126.7	171.5	175.3	0	0	0	0	110.4	V34 A38 M40 Y113 T114 V323	V34-V107 HydrophobicContact CG2-CG2 3.69Å; A38-V107 HydrophobicContact CB-CG1 3.87Å; A38-V107 HydrophobicContact CB-CG2 4.07Å; M40-V107 HydrophobicContact CG-CG2 3.67Å; M40-V107 HydrophobicContact SD-CG2 4.33Å; V107-Y113 WeakPolarHBondContact CG1-O 3.33Å; V107-T114 HydrophobicContact CG1-CG2 4.38Å; V107-V323 WeakPolarHBondContact O-CG2 3.42Å
108	G	98	Very high	97.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	103	-17	-174.3	0	0	0	0	0	114.5	P106 S112 Q319	P106-G108 PolarHBondContact O-N 3.15Å; G108-S112 CarbonylContact C-O 3.52Å; G108-S112 WeakPolarHBondContact CA-O 3.47Å; G108-S112 PolarHBondContact N-O 3.12Å; G108-Q319 CarbonylContact O-C 3.56Å; G108-Q319 WeakPolarHBondContact O-CB 3.27Å
109	T	98.3	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-75.7	139.8	176	-66.9	0	0	0	0	111.1	G68 G69 D104 N105 P106 F111 S112	G68-T109 WeakPolarHBondContact CA-OG1 3.5Å; G69-T109 VanDerWaalsContact C-CG2 3.47Å; G69-T109 WeakPolarHBondContact O-CG2 3.22Å; D104-T109 HydrophobicContact CB-CG2 4.24Å; D104-T109 WeakPolarHBondContact CB-O 3.25Å; N105-T109 PolarHBondContact O-OG1 3.41Å; P106-T109 WeakPolarHBondContact CD-OG1 3.32Å; P106-T109 WeakPolarHBondContact O-CB 3.23Å; P106-T109 PolarHBondContact O-N 2.91Å; P106-T109 PolarHBondContact O-OG1 3.26Å; T109-F111 PolarHBondContact O-N 3.2Å; T109-F111 VanDerWaalsContact O-N 3.11Å; T109-S112 WeakPolarHBondContact O-CA 3.18Å; T109-S112 VanDerWaalsContact O-CB 3.23Å; T109-S112 WeakPolarHBondContact O-CB 3.35Å; T109-S112 PolarHBondContact O-N 2.9Å
110	G	98	Very high	97.4	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-117.3	171.6	0	0	0	0	0	112.8	W316 G317	G110-W316 WeakPolarHBondContact O-CA 3.35Å; G110-G317 PolarHBondContact O-N 2.79Å
111	F	98.7	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.2	174	-74.9	-49.8	0	0	0	114.8	Y31 F41 D104 T109 M299 I303 L307 I310 W316	Y31-F111 VanDerWaalsContact CE1-O 3.26Å; Y31-F111 WeakPolarHBondContact CE1-O 3.36Å; Y31-F111 PolarHBondContact OH-O 3.49Å; F41-F111 HydrophobicContact CB-CB 3.9Å; F41-F111 HydrophobicContact CD1-CB 3.88Å; F41-F111 HydrophobicContact CD1-CD2 4.06Å; F41-F111 HydrophobicContact CD1-CG 4.49Å; F41-F111 AromaticContact CE1-CD2 3.98Å; F41-F111 HydrophobicContact CE1-CD2 3.98Å; F41-F111 HydrophobicContact CG-CB 3.83Å; F41-F111 HydrophobicContact CZ-CD2 4.49Å; D104-F111 PolarHBondContact OD2-N 3.31Å; T109-F111 PolarHBondContact O-N 3.2Å; T109-F111 VanDerWaalsContact O-N 3.11Å; F111-M299 HydrophobicContact CD2-CE 4.18Å; F111-M299 HydrophobicContact CE2-CE 3.52Å; F111-M299 HydrophobicContact CZ-CB 4.44Å; F111-M299 HydrophobicContact CZ-CE 4.21Å; F111-M299 WeakPolarHBondContact CZ-O 3.49Å; F111-I303 HydrophobicContact CE2-CG2 4.49Å; F111-L307 HydrophobicContact CD2-CD1 4.02Å; F111-L307 HydrophobicContact CE2-CD1 3.54Å; F111-L307 HydrophobicContact CZ-CD1 4.33Å; F111-I310 HydrophobicContact CB-CD1 4.06Å; F111-I310 HydrophobicContact CD1-CD1 3.9Å; F111-I310 HydrophobicContact CD1-CG1 4.1Å; F111-I310 HydrophobicContact CD1-CG2 3.68Å; F111-I310 HydrophobicContact CD2-CD1 3.88Å; F111-I310 HydrophobicContact CE1-CD1 4.25Å; F111-I310 HydrophobicContact CE1-CG1 4Å; F111-I310 HydrophobicContact CE1-CG2 3.83Å; F111-I310 HydrophobicContact CE2-CD1 4.24Å; F111-I310 HydrophobicContact CE2-CG1 4.43Å; F111-I310 HydrophobicContact CG-CD1 3.71Å; F111-I310 HydrophobicContact CG-CG1 4.36Å; F111-I310 HydrophobicContact CZ-CD1 4.42Å; F111-I310 HydrophobicContact CZ-CG1 4.18Å; F111-W316 HydrophobicContact CD1-CB 3.85Å; F111-W316 HydrophobicContact CD1-CG 4.42Å; F111-W316 AromaticContact CD2-CD1 3.94Å; F111-W316 HydrophobicContact CE1-CB 3.47Å; F111-W316 VanDerWaalsContact CE1-CB 3.47Å; F111-W316 HydrophobicContact CE1-CG 4.22Å; F111-W316 AromaticContact CG-CD1 3.99Å; F111-W316 HydrophobicContact CZ-CB 3.88Å; F111-W316 HydrophobicContact CZ-CG 4.29Å
112	S	98.8	Very high	97.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	15%	0.153	C	C	.	.			trans	-69.2	141.9	170	-61.5	0	0	0	0	110	H39 M40 F41 D104 G108 T109	H39-S112 CarbonylContact O-C 3.57Å; H39-S112 VanDerWaalsContact O-CA 3.28Å; H39-S112 WeakPolarHBondContact O-CA 3.36Å; H39-S112 WeakPolarHBondContact O-CB 3.4Å; M40-S112 WeakPolarHBondContact CA-OG 3.45Å; F41-S112 PolarHBondContact N-OG 3.2Å; D104-S112 VanDerWaalsContact CB-OG 3.3Å; D104-S112 WeakPolarHBondContact CB-OG 3.27Å; D104-S112 WeakPolarHBondContact O-CB 3.34Å; D104-S112 PolarHBondContact O-OG 3.01Å; G108-S112 CarbonylContact C-O 3.52Å; G108-S112 WeakPolarHBondContact CA-O 3.47Å; G108-S112 PolarHBondContact N-O 3.12Å; T109-S112 WeakPolarHBondContact O-CA 3.18Å; T109-S112 VanDerWaalsContact O-CB 3.23Å; T109-S112 WeakPolarHBondContact O-CB 3.35Å; T109-S112 PolarHBondContact O-N 2.9Å
113	Y	98.7	Very high	97.2	Very high	29 Å²	29	30.9 Å²	30.9	11%	0.114	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.5	-172.7	69.8	-78.9	0	0	0	112.6	Y31 H39 V107 E115 P311 V314	Y31-Y113 HydrophobicContact CD1-CE1 4.23Å; Y31-Y113 AromaticContact CE1-CD1 3.91Å; Y31-Y113 HydrophobicContact CE1-CD1 3.91Å; Y31-Y113 AromaticContact CE1-CE1 3.75Å; Y31-Y113 HydrophobicContact CE1-CE1 3.75Å; H39-Y113 HydrophobicContact CB-CD1 3.97Å; H39-Y113 HydrophobicContact CB-CE1 3.57Å; H39-Y113 AromaticContact CD2-CE1 3.96Å; H39-Y113 AromaticContact CD2-CE2 3.41Å; H39-Y113 VanDerWaalsContact CD2-CE2 3.41Å; H39-Y113 WeakPolarHBondContact CD2-CE2 3.42Å; H39-Y113 AromaticContact CD2-CZ 3.33Å; H39-Y113 PolarHBondContact CD2-OH 3.17Å; H39-Y113 AromaticContact CG-CE1 3.93Å; H39-Y113 AromaticContact CG-CZ 3.7Å; H39-Y113 PolarHBondContact N-O 3.39Å; H39-Y113 PolarHBondContact O-N 3.46Å; V107-Y113 WeakPolarHBondContact CG1-O 3.33Å; Y113-E115 HydrophobicContact CE2-CG 4.14Å; Y113-P311 HydrophobicContact CE1-CG 3.88Å; Y113-V314 HydrophobicContact CD1-CG1 4.29Å; Y113-V314 HydrophobicContact CD1-CG2 3.55Å; Y113-V314 HydrophobicContact CD2-CG2 3.69Å; Y113-V314 HydrophobicContact CE1-CG2 3.94Å; Y113-V314 HydrophobicContact CE2-CG2 4.05Å; Y113-V314 HydrophobicContact CG-CG1 4.47Å; Y113-V314 HydrophobicContact CG-CG2 3.42Å; Y113-V314 VanDerWaalsContact CG-CG2 3.42Å
114	T	98.1	Very high	97.2	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.9	166.2	173.7	0	0	0	0	110.9	G37 V107 Q116 G119 F120 Q319	G37-T114 CarbonylContact O-C 3.55Å; G37-T114 WeakPolarHBondContact O-CA 3.47Å; V107-T114 HydrophobicContact CG1-CG2 4.38Å; T114-Q116 VanDerWaalsContact C-N 3.33Å; T114-Q116 VanDerWaalsContact CG2-O 3.32Å; T114-Q116 WeakPolarHBondContact CG2-O 3.43Å; T114-Q116 PolarHBondContact OG1-N 3.44Å; T114-Q116 PolarHBondContact OG1-O 3.27Å; T114-G119 WeakPolarHBondContact OG1-CA 3.12Å; T114-F120 HydrophobicContact CG2-CD1 4.06Å; T114-F120 HydrophobicContact CG2-CD2 4.2Å; T114-F120 HydrophobicContact CG2-CE1 3.68Å; T114-F120 HydrophobicContact CG2-CE2 3.84Å; T114-F120 HydrophobicContact CG2-CG 4.3Å; T114-F120 HydrophobicContact CG2-CZ 3.57Å; T114-Q319 PolarHBondContact O-NE2 3.25Å; T114-Q319 VanDerWaalsContact O-NE2 3.09Å
115	E	97.1	Very high	97.2	Very high	111 Å²	111	35.7 Å²	35.7	52%	0.519	20%	0.2	S	C	.	.	S	Bend	trans	-80.3	-17.8	171.3	-62.8	171.5	-156.9	0	0	112.3	G37 H39 Y113	G37-E115 PolarHBondContact O-N 2.78Å; H39-E115 IonicContact CD2-OE1 2.96Å; H39-E115 IonicContact CE1-OE1 3.88Å; H39-E115 IonicContact NE2-OE1 3.33Å; H39-E115 PolarHBondContact NE2-OE1 2.98Å; Y113-E115 HydrophobicContact CE2-CG 4.14Å
116	Q	93.9	Very high	97.2	Very high	101 Å²	101	37.2 Å²	37.2	47%	0.472	21%	0.209	S	C	.	.	S	Bend	trans	-116.2	140.9	-173.9	-57.1	-58.6	-41	0	0	111.6	T114 N118 G119	T114-Q116 VanDerWaalsContact C-N 3.33Å; T114-Q116 VanDerWaalsContact CG2-O 3.32Å; T114-Q116 WeakPolarHBondContact CG2-O 3.43Å; T114-Q116 PolarHBondContact OG1-N 3.44Å; T114-Q116 PolarHBondContact OG1-O 3.27Å; Q116-N118 WeakPolarHBondContact CB-OD1 3.29Å; Q116-N118 PolarHBondContact O-N 2.93Å; Q116-G119 PolarHBondContact O-N 3Å
117	P	88.6	Confident	97.2	Very high	109 Å²	109	37.2 Å²	37.2	71%	0.708	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.1	179	-25.5	34.2	0	0	0	114.7	F120	P117-F120 WeakPolarHBondContact O-CD2 3.44Å
118	N	92.5	Very high	97.2	Very high	131 Å²	131	37.3 Å²	37.3	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	12.7	178.5	66.7	-19.6	0	0	0	113.1	Q116 F120	Q116-N118 WeakPolarHBondContact CB-OD1 3.29Å; Q116-N118 PolarHBondContact O-N 2.93Å; N118-F120 VanDerWaalsContact C-N 3.34Å
119	G	96.3	Very high	97.3	Very high	7 Å²	7	40.7 Å²	40.7	7%	0.072	23%	0.234	C	C	.	.			trans	-81.9	-9.1	-179.8	0	0	0	0	0	114.4	R35 T114 Q116	R35-G119 PolarHBondContact NH1-O 2.87Å; R35-G119 VanDerWaalsContact NH1-O 3.14Å; R35-G119 PolarHBondContact NH2-O 2.85Å; T114-G119 WeakPolarHBondContact OG1-CA 3.12Å; Q116-G119 PolarHBondContact O-N 3Å
120	F	98.2	Very high	97.3	Very high	19 Å²	19	40.7 Å²	40.7	8%	0.083	23%	0.234	C	C	.	.	S	Bend	trans	-68.8	147.1	175	-59.4	-72.6	0	0	0	112.1	T114 P117 N118 Q319 D322 V323 N326	T114-F120 HydrophobicContact CG2-CD1 4.06Å; T114-F120 HydrophobicContact CG2-CD2 4.2Å; T114-F120 HydrophobicContact CG2-CE1 3.68Å; T114-F120 HydrophobicContact CG2-CE2 3.84Å; T114-F120 HydrophobicContact CG2-CG 4.3Å; T114-F120 HydrophobicContact CG2-CZ 3.57Å; P117-F120 WeakPolarHBondContact O-CD2 3.44Å; N118-F120 VanDerWaalsContact C-N 3.34Å; F120-Q319 HydrophobicContact CE1-CB 3.91Å; F120-Q319 HydrophobicContact CZ-CB 4.07Å; F120-Q319 HydrophobicContact CZ-CG 4.28Å; F120-D322 HydrophobicContact CD1-CB 4.36Å; F120-D322 HydrophobicContact CD2-CB 4.28Å; F120-D322 HydrophobicContact CE1-CB 3.79Å; F120-D322 HydrophobicContact CE2-CB 3.69Å; F120-D322 HydrophobicContact CZ-CB 3.41Å; F120-D322 VanDerWaalsContact CZ-CB 3.41Å; F120-V323 HydrophobicContact CD1-CG2 3.92Å; F120-V323 HydrophobicContact CE1-CG2 4.16Å; F120-N326 HydrophobicContact CB-CB 3.84Å
121	A	98.1	Very high	97.3	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	23%	0.233	C	C	.	.			trans	-71.4	142.6	168.7	0	0	0	0	0	109.9	P106 T126 V127 M327	P106-A121 HydrophobicContact CB-CB 4.25Å; A121-T126 HydrophobicContact CB-CG2 3.96Å; A121-V127 HydrophobicContact CB-CG2 3.7Å; A121-M327 VanDerWaalsContact O-CG 3.32Å; A121-M327 WeakPolarHBondContact O-CG 3.29Å
122	T	97.6	Very high	97.4	Very high	70 Å²	70	42.3 Å²	42.3	43%	0.429	24%	0.242	S	C	.	.	S	Bend	trans	-111.2	-4.1	175.6	57.3	0	0	0	0	112.9	N326	T122-N326 WeakPolarHBondContact CA-O 3.11Å; T122-N326 HydrophobicContact CG2-CB 4.45Å
123	N	98.3	Very high	97.4	Very high	54 Å²	54	45 Å²	45	29%	0.289	26%	0.258	S	S	.	.	S	Bend	trans	-161.3	161.7	179.2	55.5	65.2	0	0	0	112.2	S125 T126 V127 D330	N123-S125 PolarHBondContact O-N 3.08Å; N123-S125 WeakPolarHBondContact OD1-CB 3.44Å; N123-S125 PolarHBondContact OD1-N 2.74Å; N123-T126 PolarHBondContact O-N 3.21Å; N123-T126 VanDerWaalsContact O-N 3.15Å; N123-T126 PolarHBondContact OD1-N 3.01Å; N123-T126 PolarHBondContact OD1-OG1 2.85Å; N123-T126 VanDerWaalsContact OD1-OG1 3.1Å; N123-V127 PolarHBondContact O-N 2.85Å; N123-D330 WeakPolarHBondContact CA-OD2 3.24Å; N123-D330 HydrophobicContact CB-CB 4.46Å; N123-D330 VanDerWaalsContact CB-OD2 3.28Å; N123-D330 WeakPolarHBondContact CB-OD2 3.34Å
124	V	98.3	Very high	97.4	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.085	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-21.7	179.6	-65.3	0	0	0	0	114.2	V127 A128 Y157 K160 M161 A164 M327 D330 V335	V124-V127 PolarHBondContact O-N 2.92Å; V124-A128 WeakPolarHBondContact O-CB 3.28Å; V124-A128 PolarHBondContact O-N 3.08Å; V124-Y157 HydrophobicContact CG1-CE1 4.5Å; V124-K160 HydrophobicContact CG1-CB 4.08Å; V124-M161 HydrophobicContact CG1-CG 4.5Å; V124-A164 HydrophobicContact CB-CB 3.96Å; V124-A164 HydrophobicContact CG2-CB 4.15Å; V124-M327 HydrophobicContact CG1-CE 4.49Å; V124-D330 PolarHBondContact N-OD2 3.2Å; V124-V335 HydrophobicContact CG2-CG1 4.4Å
125	S	98.5	Very high	97.4	Very high	87 Å²	87	43.3 Å²	43.3	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-68.8	-40.9	175	177.8	0	0	0	0	111.8	N123 A128 S129	N123-S125 PolarHBondContact O-N 3.08Å; N123-S125 WeakPolarHBondContact OD1-CB 3.44Å; N123-S125 PolarHBondContact OD1-N 2.74Å; S125-A128 PolarHBondContact O-N 2.93Å; S125-S129 PolarHBondContact O-N 2.91Å
126	T	98.6	Very high	97.5	Very high	34 Å²	34	43.4 Å²	43.4	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-43.2	173.8	-52.9	0	0	0	0	110.3	A121 N123 A128 S129 D130	A121-T126 HydrophobicContact CB-CG2 3.96Å; N123-T126 PolarHBondContact O-N 3.21Å; N123-T126 VanDerWaalsContact O-N 3.15Å; N123-T126 PolarHBondContact OD1-N 3.01Å; N123-T126 PolarHBondContact OD1-OG1 2.85Å; N123-T126 VanDerWaalsContact OD1-OG1 3.1Å; T126-A128 VanDerWaalsContact C-N 3.35Å; T126-A128 PolarHBondContact O-N 2.8Å; T126-S129 PolarHBondContact O-N 2.85Å; T126-D130 PolarHBondContact O-N 2.86Å
127	V	98.8	Very high	97.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-47	175.2	180	0	0	0	0	111.4	N105 P106 A121 N123 V124 S129 D130 M131 M161 I165 M327	N105-V127 WeakPolarHBondContact ND2-CG1 3.43Å; N105-V127 WeakPolarHBondContact OD1-CG1 3.28Å; P106-V127 HydrophobicContact CB-CG1 4.4Å; P106-V127 HydrophobicContact CB-CG2 3.87Å; P106-V127 HydrophobicContact CG-CG2 4.47Å; A121-V127 HydrophobicContact CB-CG2 3.7Å; N123-V127 PolarHBondContact O-N 2.85Å; V124-V127 PolarHBondContact O-N 2.92Å; V127-S129 PolarHBondContact O-N 2.83Å; V127-D130 PolarHBondContact O-N 2.83Å; V127-M131 WeakPolarHBondContact O-CB 3.46Å; V127-M131 PolarHBondContact O-N 3.29Å; V127-M161 HydrophobicContact CG1-CB 4.13Å; V127-M161 HydrophobicContact CG1-CG 4.03Å; V127-M161 HydrophobicContact CG1-SD 3.94Å; V127-I165 HydrophobicContact CG1-CD1 4.3Å; V127-M327 HydrophobicContact CG2-CE 3.91Å; V127-M327 HydrophobicContact CG2-SD 4.37Å
128	A	98.8	Very high	98.2	Very high	3 Å²	3	36 Å²	36	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-41.1	178.5	0	0	0	0	0	112.5	V124 S125 T126 M131 L132 A164 I165 E168	V124-A128 WeakPolarHBondContact O-CB 3.28Å; V124-A128 PolarHBondContact O-N 3.08Å; S125-A128 PolarHBondContact O-N 2.93Å; T126-A128 VanDerWaalsContact C-N 3.35Å; T126-A128 PolarHBondContact O-N 2.8Å; A128-M131 PolarHBondContact O-N 3.14Å; A128-L132 WeakPolarHBondContact O-CG 3.5Å; A128-L132 PolarHBondContact O-N 2.79Å; A128-A164 HydrophobicContact CB-CB 4.23Å; A128-I165 HydrophobicContact CB-CG1 4.26Å; A128-E168 HydrophobicContact CB-CB 4.42Å; A128-E168 HydrophobicContact CB-CG 4.1Å
129	S	98.7	Very high	98.5	Very high	70 Å²	70	29.9 Å²	29.9	49%	0.49	17%	0.172	S	C	.	.	H	α-helix	trans	-61.6	-47.3	176.3	-178	0	0	0	0	112.1	S125 T126 V127 M131 L132 V133	S125-S129 PolarHBondContact O-N 2.91Å; T126-S129 PolarHBondContact O-N 2.85Å; V127-S129 PolarHBondContact O-N 2.83Å; S129-M131 VanDerWaalsContact C-N 3.34Å; S129-M131 PolarHBondContact O-N 2.74Å; S129-L132 PolarHBondContact O-N 2.94Å; S129-V133 PolarHBondContact O-N 2.78Å
130	D	98.8	Very high	98.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-44.3	178.5	-74.4	-2.5	0	0	0	110.8	V34 R35 M40 T126 V127 L132 V133 L134	V34-D130 HydrophobicContact CB-CB 3.96Å; V34-D130 HydrophobicContact CG1-CB 4.49Å; V34-D130 WeakPolarHBondContact CG1-O 3.33Å; V34-D130 HydrophobicContact CG2-CB 3.78Å; R35-D130 VanDerWaalsContact CD-OD1 3.24Å; R35-D130 WeakPolarHBondContact CD-OD1 3.28Å; R35-D130 VanDerWaalsContact CG-OD1 3.32Å; R35-D130 WeakPolarHBondContact CG-OD1 3.41Å; R35-D130 IonicContact CZ-OD1 3.7Å; R35-D130 IonicContact CZ-OD2 2.97Å; R35-D130 VanDerWaalsContact CZ-OD2 3.31Å; R35-D130 VanDerWaalsContact NE-CG 3.3Å; R35-D130 IonicContact NE-OD1 3.5Å; R35-D130 PolarHBondContact NE-OD1 3.38Å; R35-D130 IonicContact NE-OD2 2.83Å; R35-D130 PolarHBondContact NE-OD2 2.89Å; R35-D130 IonicContact NH2-OD2 2.79Å; R35-D130 PolarHBondContact NH2-OD2 2.84Å; M40-D130 HydrophobicContact SD-CB 3.97Å; T126-D130 PolarHBondContact O-N 2.86Å; V127-D130 PolarHBondContact O-N 2.83Å; D130-L132 VanDerWaalsContact C-N 3.34Å; D130-L132 PolarHBondContact O-N 3.02Å; D130-V133 WeakPolarHBondContact O-CB 3.41Å; D130-V133 PolarHBondContact O-N 2.85Å; D130-V133 VanDerWaalsContact O-N 3.13Å; D130-L134 PolarHBondContact O-N 2.93Å; D130-L134 VanDerWaalsContact O-N 3.13Å
131	M	98.9	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-35.8	177.9	-172.6	61.4	71.4	0	0	112.9	M40 M61 L63 V103 N105 V127 A128 S129 V133 L134 L135 I165	M40-M131 HydrophobicContact CE-CE 3.82Å; M61-M131 HydrophobicContact CE-CE 4.36Å; M61-M131 HydrophobicContact CE-CG 4.39Å; M61-M131 HydrophobicContact CE-SD 4.14Å; M61-M131 HydrophobicContact SD-CE 4.23Å; M61-M131 HydrophobicContact SD-SD 3.88Å; L63-M131 HydrophobicContact CD2-CE 3.85Å; V103-M131 HydrophobicContact CB-CE 4.38Å; V103-M131 HydrophobicContact CG1-CE 3.89Å; V103-M131 HydrophobicContact CG1-SD 4.48Å; N105-M131 HydrophobicContact CB-CE 3.92Å; V127-M131 WeakPolarHBondContact O-CB 3.46Å; V127-M131 PolarHBondContact O-N 3.29Å; A128-M131 PolarHBondContact O-N 3.14Å; S129-M131 VanDerWaalsContact C-N 3.34Å; S129-M131 PolarHBondContact O-N 2.74Å; M131-V133 VanDerWaalsContact C-N 3.27Å; M131-V133 PolarHBondContact O-N 2.83Å; M131-L134 PolarHBondContact O-N 2.99Å; M131-L134 HydrophobicContact SD-CB 4.34Å; M131-L134 HydrophobicContact SD-CD1 4.43Å; M131-L134 HydrophobicContact SD-CD2 4.13Å; M131-L135 HydrophobicContact CG-CD1 3.89Å; M131-L135 HydrophobicContact CG-CG 4.03Å; M131-L135 WeakPolarHBondContact O-CB 3.38Å; M131-L135 WeakPolarHBondContact O-CG 3.39Å; M131-L135 PolarHBondContact O-N 2.76Å; M131-L135 HydrophobicContact SD-CG 4.13Å; M131-I165 HydrophobicContact CB-CD1 3.91Å; M131-I165 HydrophobicContact CB-CG1 3.8Å; M131-I165 HydrophobicContact CB-CG2 4.22Å; M131-I165 HydrophobicContact CE-CD1 3.94Å; M131-I165 HydrophobicContact CG-CB 4.44Å; M131-I165 HydrophobicContact CG-CD1 3.8Å; M131-I165 HydrophobicContact CG-CG1 3.93Å; M131-I165 HydrophobicContact CG-CG2 3.6Å
132	L	98.8	Very high	98.4	Very high	36 Å²	36	36 Å²	36	19%	0.188	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-34.6	175.2	-76	-170.3	0	0	0	112.4	A128 S129 D130 K136 E168 L169 A172	A128-L132 WeakPolarHBondContact O-CG 3.5Å; A128-L132 PolarHBondContact O-N 2.79Å; S129-L132 PolarHBondContact O-N 2.94Å; D130-L132 VanDerWaalsContact C-N 3.34Å; D130-L132 PolarHBondContact O-N 3.02Å; L132-K136 WeakPolarHBondContact O-CB 3.33Å; L132-K136 PolarHBondContact O-N 3.05Å; L132-E168 HydrophobicContact CD1-CB 3.84Å; L132-E168 HydrophobicContact CG-CB 4.28Å; L132-L169 HydrophobicContact CD2-CB 4.11Å; L132-L169 HydrophobicContact CD2-CD1 4.16Å; L132-A172 HydrophobicContact CD1-CB 4.31Å; L132-A172 HydrophobicContact CD2-CB 4.19Å
133	V	98.9	Very high	98.4	Very high	59 Å²	59	36 Å²	36	36%	0.358	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-47.3	173.5	179.5	0	0	0	0	110	V32 V34 S129 D130 M131 K136 H137	V32-V133 HydrophobicContact CG1-CG1 4.2Å; V34-V133 HydrophobicContact CB-CB 4.29Å; V34-V133 HydrophobicContact CB-CG1 4.46Å; V34-V133 HydrophobicContact CG1-CB 4.19Å; V34-V133 HydrophobicContact CG1-CG1 4.32Å; S129-V133 PolarHBondContact O-N 2.78Å; D130-V133 WeakPolarHBondContact O-CB 3.41Å; D130-V133 PolarHBondContact O-N 2.85Å; D130-V133 VanDerWaalsContact O-N 3.13Å; M131-V133 VanDerWaalsContact C-N 3.27Å; M131-V133 PolarHBondContact O-N 2.83Å; V133-K136 PolarHBondContact O-N 3.1Å; V133-H137 WeakPolarHBondContact O-CB 3.44Å; V133-H137 PolarHBondContact O-N 3.45Å
134	L	98.9	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-52.9	176.5	-175.1	157.6	0	0	0	111.8	V32 V34 M40 V103 D130 M131 K136 H137 F138	V32-L134 HydrophobicContact CG2-CG 4.19Å; V34-L134 HydrophobicContact CG1-CB 4.3Å; M40-L134 HydrophobicContact CB-CD1 3.73Å; M40-L134 HydrophobicContact CE-CD1 3.98Å; M40-L134 HydrophobicContact SD-CD1 4.31Å; V103-L134 HydrophobicContact CG1-CD1 3.73Å; D130-L134 PolarHBondContact O-N 2.93Å; D130-L134 VanDerWaalsContact O-N 3.13Å; M131-L134 PolarHBondContact O-N 2.99Å; M131-L134 HydrophobicContact SD-CB 4.34Å; M131-L134 HydrophobicContact SD-CD1 4.43Å; M131-L134 HydrophobicContact SD-CD2 4.13Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.35Å; L134-H137 WeakPolarHBondContact O-CB 3.45Å; L134-H137 PolarHBondContact O-N 3.43Å; L134-H137 VanDerWaalsContact O-N 3.09Å; L134-F138 HydrophobicContact CD2-CB 4.43Å; L134-F138 WeakPolarHBondContact O-CB 3.29Å; L134-F138 PolarHBondContact O-N 2.8Å
135	L	98.9	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-39.5	-177.6	-70.8	175.9	0	0	0	111.6	M61 M131 H137 F138 F139 F150 I165 L169	M61-L135 HydrophobicContact SD-CD2 4.07Å; M131-L135 HydrophobicContact CG-CD1 3.89Å; M131-L135 HydrophobicContact CG-CG 4.03Å; M131-L135 WeakPolarHBondContact O-CB 3.38Å; M131-L135 WeakPolarHBondContact O-CG 3.39Å; M131-L135 PolarHBondContact O-N 2.76Å; M131-L135 HydrophobicContact SD-CG 4.13Å; L135-H137 VanDerWaalsContact C-N 3.31Å; L135-H137 PolarHBondContact O-N 3.15Å; L135-F138 PolarHBondContact O-N 3.07Å; L135-F139 HydrophobicContact CB-CD2 4.43Å; L135-F139 HydrophobicContact CD2-CE2 4.21Å; L135-F139 WeakPolarHBondContact O-CB 3.4Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.82Å; L135-F150 HydrophobicContact CD1-CE1 4.38Å; L135-F150 HydrophobicContact CD2-CE1 4.24Å; L135-F150 HydrophobicContact CD2-CZ 3.99Å; L135-I165 HydrophobicContact CD1-CG2 4.3Å; L135-L169 HydrophobicContact CD1-CD1 4.1Å; L135-L169 HydrophobicContact CD1-CD2 4.05Å
136	K	98.7	Very high	98.3	Very high	113 Å²	113	34.7 Å²	34.7	49%	0.491	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-43.5	174	-172.4	177.2	-178.1	-179	0	111.5	L132 V133 L134 T140 V178	L132-K136 WeakPolarHBondContact O-CB 3.33Å; L132-K136 PolarHBondContact O-N 3.05Å; V133-K136 PolarHBondContact O-N 3.1Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.35Å; K136-T140 WeakPolarHBondContact O-CB 3.43Å; K136-T140 PolarHBondContact O-N 3.29Å; K136-T140 PolarHBondContact O-OG1 3.22Å; K136-V178 HydrophobicContact CB-CG2 4.11Å
137	H	98.5	Very high	98.2	Very high	55 Å²	55	37.4 Å²	37.4	26%	0.255	21%	0.209	S	C	.	.	H	α-helix	trans	-64.8	-52.1	177.1	-175.5	95.5	0	0	0	111.3	V32 V133 L134 L135 F139 T140 Q141	V32-H137 HydrophobicContact CG1-CB 4.03Å; V32-H137 HydrophobicContact CG2-CB 4.02Å; V133-H137 WeakPolarHBondContact O-CB 3.44Å; V133-H137 PolarHBondContact O-N 3.45Å; L134-H137 WeakPolarHBondContact O-CB 3.45Å; L134-H137 PolarHBondContact O-N 3.43Å; L134-H137 VanDerWaalsContact O-N 3.09Å; L135-H137 VanDerWaalsContact C-N 3.31Å; L135-H137 PolarHBondContact O-N 3.15Å; H137-F139 PolarHBondContact O-N 2.95Å; H137-T140 WeakPolarHBondContact O-CB 3.44Å; H137-T140 PolarHBondContact O-N 3.19Å; H137-T140 VanDerWaalsContact O-N 3.09Å; H137-Q141 PolarHBondContact CE1-NE2 2.84Å; H137-Q141 PolarHBondContact NE2-NE2 3.3Å; H137-Q141 PolarHBondContact O-N 2.88Å
138	F	98.7	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-53.8	-54.3	179.7	172.8	-95.3	0	0	0	112.1	W42 L44 L59 L101 L134 L135 T140 Q141 I142 F145	W42-F138 HydrophobicContact CD2-CD2 4.35Å; W42-F138 HydrophobicContact CE3-CD2 4.2Å; W42-F138 HydrophobicContact CE3-CE2 4.31Å; W42-F138 HydrophobicContact CH2-CD2 4.29Å; W42-F138 HydrophobicContact CZ2-CD2 4.41Å; W42-F138 HydrophobicContact CZ3-CD2 4.19Å; W42-F138 HydrophobicContact CZ3-CE2 4.15Å; L44-F138 HydrophobicContact CD1-CZ 4.5Å; L44-F138 HydrophobicContact CD2-CE2 4.08Å; L44-F138 HydrophobicContact CD2-CZ 4.13Å; L59-F138 HydrophobicContact CD2-CE1 3.66Å; L59-F138 HydrophobicContact CD2-CZ 4.1Å; L101-F138 HydrophobicContact CD1-CD2 4.17Å; L101-F138 HydrophobicContact CD1-CE2 3.78Å; L101-F138 HydrophobicContact CD1-CZ 4.36Å; L101-F138 HydrophobicContact CD2-CD1 4.29Å; L101-F138 HydrophobicContact CD2-CD2 4.22Å; L101-F138 HydrophobicContact CD2-CE1 4.18Å; L101-F138 HydrophobicContact CD2-CE2 4.09Å; L101-F138 HydrophobicContact CD2-CG 4.32Å; L101-F138 HydrophobicContact CD2-CZ 4.08Å; L134-F138 HydrophobicContact CD2-CB 4.43Å; L134-F138 WeakPolarHBondContact O-CB 3.29Å; L134-F138 PolarHBondContact O-N 2.8Å; L135-F138 PolarHBondContact O-N 3.07Å; F138-T140 PolarHBondContact O-N 2.7Å; F138-Q141 PolarHBondContact O-N 2.84Å; F138-Q141 VanDerWaalsContact O-N 3.17Å; F138-I142 HydrophobicContact CD2-CD1 4.23Å; F138-I142 HydrophobicContact CE2-CD1 3.79Å; F138-I142 HydrophobicContact CZ-CD1 4.43Å; F138-I142 PolarHBondContact O-N 3.12Å; F138-F145 HydrophobicContact CE1-CB 4.38Å; F138-F145 HydrophobicContact CZ-CD2 4.23Å
139	F	98.6	Very high	98.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-25.6	-179.9	-77.1	-62.2	0	0	0	112.8	L59 L135 H137 F145 Q146 F150 V178 C180	L59-F139 HydrophobicContact CD2-CE1 3.93Å; L59-F139 HydrophobicContact CD2-CZ 3.94Å; L135-F139 HydrophobicContact CB-CD2 4.43Å; L135-F139 HydrophobicContact CD2-CE2 4.21Å; L135-F139 WeakPolarHBondContact O-CB 3.4Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.82Å; H137-F139 PolarHBondContact O-N 2.95Å; F139-F145 HydrophobicContact CD1-CB 4.27Å; F139-F145 HydrophobicContact CE1-CB 4.02Å; F139-Q146 HydrophobicContact CB-CG 4.11Å; F139-Q146 HydrophobicContact CD1-CG 4.14Å; F139-Q146 PolarHBondContact O-NE2 3.46Å; F139-F150 HydrophobicContact CE2-CD1 4.1Å; F139-F150 HydrophobicContact CE2-CE1 4.14Å; F139-F150 HydrophobicContact CZ-CB 4.35Å; F139-F150 AromaticContact CZ-CD1 3.81Å; F139-F150 HydrophobicContact CZ-CD1 3.81Å; F139-F150 HydrophobicContact CZ-CD2 4.32Å; F139-F150 HydrophobicContact CZ-CE1 4.17Å; F139-F150 AromaticContact CZ-CG 3.9Å; F139-F150 HydrophobicContact CZ-CG 3.9Å; F139-V178 HydrophobicContact CD2-CG1 4.16Å; F139-C180 HydrophobicContact CD1-CB 3.98Å; F139-C180 HydrophobicContact CD2-CB 3.74Å; F139-C180 HydrophobicContact CE1-CB 3.67Å; F139-C180 HydrophobicContact CE2-CB 3.43Å; F139-C180 VanDerWaalsContact CE2-CB 3.43Å; F139-C180 HydrophobicContact CG-CB 4.03Å; F139-C180 HydrophobicContact CZ-CB 3.4Å
140	T	97.9	Very high	98.2	Very high	99 Å²	99	36.9 Å²	36.9	61%	0.607	20%	0.203	S	C	*	.	H	α-helix	trans	-74	-39.4	173.6	-59.4	0	0	0	0	111.5	K136 H137 F138	K136-T140 WeakPolarHBondContact O-CB 3.43Å; K136-T140 PolarHBondContact O-N 3.29Å; K136-T140 PolarHBondContact O-OG1 3.22Å; H137-T140 WeakPolarHBondContact O-CB 3.44Å; H137-T140 PolarHBondContact O-N 3.19Å; H137-T140 VanDerWaalsContact O-N 3.09Å; F138-T140 PolarHBondContact O-N 2.7Å
141	Q	97	Very high	98.2	Very high	46 Å²	46	37.5 Å²	37.5	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-74.8	-35.7	179.9	-77.2	-151.3	-16.1	0	0	113.4	H137 F138 P143	H137-Q141 PolarHBondContact CE1-NE2 2.84Å; H137-Q141 PolarHBondContact NE2-NE2 3.3Å; H137-Q141 PolarHBondContact O-N 2.88Å; F138-Q141 PolarHBondContact O-N 2.84Å; F138-Q141 VanDerWaalsContact O-N 3.17Å; Q141-P143 VanDerWaalsContact C-CD 3.41Å; Q141-P143 VanDerWaalsContact O-CD 3.24Å; Q141-P143 WeakPolarHBondContact O-CD 3.38Å
142	I	96.9	Very high	98.2	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.056	21%	0.206	C	C	.	.	S	Bend	trans	-121.2	69.3	-176.2	-43.1	-174.9	0	0	0	109.3	V28 W42 L44 F138 E144 F145	V28-I142 HydrophobicContact CG1-CD1 4.28Å; W42-I142 HydrophobicContact CH2-CD1 3.95Å; W42-I142 HydrophobicContact CZ3-CD1 4.27Å; L44-I142 HydrophobicContact CD2-CD1 4Å; F138-I142 HydrophobicContact CD2-CD1 4.23Å; F138-I142 HydrophobicContact CE2-CD1 3.79Å; F138-I142 HydrophobicContact CZ-CD1 4.43Å; F138-I142 PolarHBondContact O-N 3.12Å; I142-E144 VanDerWaalsContact C-OE2 3.32Å; I142-E144 HydrophobicContact CG2-CG 3.88Å; I142-E144 WeakPolarHBondContact CG2-OE1 3.12Å; I142-E144 WeakPolarHBondContact CG2-OE2 3.28Å; I142-E144 PolarHBondContact O-N 2.71Å; I142-E144 VanDerWaalsContact O-N 3.12Å; I142-F145 HydrophobicContact CB-CD2 4.14Å; I142-F145 HydrophobicContact CG2-CD2 3.41Å; I142-F145 VanDerWaalsContact CG2-CD2 3.41Å; I142-F145 HydrophobicContact CG2-CE2 3.66Å; I142-F145 PolarHBondContact O-N 2.9Å
143	P	97.4	Very high	98.2	Very high	71 Å²	71	35.8 Å²	35.8	46%	0.461	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-63.6	-20.4	-168.8	26.7	-36.1	0	0	0	114	Q141 F145 Q146	Q141-P143 VanDerWaalsContact C-CD 3.41Å; Q141-P143 VanDerWaalsContact O-CD 3.24Å; Q141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-F145 PolarHBondContact O-N 3.45Å; P143-Q146 WeakPolarHBondContact O-CB 3.22Å; P143-Q146 WeakPolarHBondContact O-CG 3.33Å; P143-Q146 PolarHBondContact O-N 2.94Å
144	E	95.6	Very high	98.2	Very high	71 Å²	71	33 Å²	33	33%	0.332	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-59.7	-26.6	176.1	59.7	-95	-134.7	0	0	113.4	Y46 I142 M148	Y46-E144 PolarHBondContact OH-OE1 2.79Å; I142-E144 VanDerWaalsContact C-OE2 3.32Å; I142-E144 HydrophobicContact CG2-CG 3.88Å; I142-E144 WeakPolarHBondContact CG2-OE1 3.12Å; I142-E144 WeakPolarHBondContact CG2-OE2 3.28Å; I142-E144 PolarHBondContact O-N 2.71Å; I142-E144 VanDerWaalsContact O-N 3.12Å; E144-M148 WeakPolarHBondContact O-CE 3.35Å
145	F	98.1	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-82.6	-8.8	176.8	-72.1	-73.2	0	0	0	113.8	L44 Y46 Y54 L59 F138 F139 I142 P143 S147 M148	L44-F145 HydrophobicContact CD1-CZ 4.44Å; L44-F145 HydrophobicContact CD2-CD2 4.24Å; L44-F145 HydrophobicContact CD2-CE2 3.49Å; L44-F145 VanDerWaalsContact CD2-CE2 3.49Å; L44-F145 HydrophobicContact CD2-CZ 3.9Å; Y46-F145 HydrophobicContact CD1-CZ 4.07Å; Y46-F145 AromaticContact CE1-CE2 3.97Å; Y46-F145 HydrophobicContact CE1-CE2 3.97Å; Y46-F145 AromaticContact CE1-CZ 3.85Å; Y46-F145 HydrophobicContact CE1-CZ 3.85Å; Y46-F145 HydrophobicContact CE2-CE2 4.26Å; Y46-F145 HydrophobicContact CE2-CZ 4.36Å; Y46-F145 HydrophobicContact CG-CZ 4.44Å; Y46-F145 AromaticContact CZ-CE2 3.76Å; Y54-F145 HydrophobicContact CD2-CZ 4.46Å; L59-F145 HydrophobicContact CB-CD1 4.05Å; L59-F145 HydrophobicContact CD1-CD1 4.14Å; L59-F145 HydrophobicContact CD1-CE1 4.28Å; L59-F145 HydrophobicContact CD2-CB 4.12Å; L59-F145 HydrophobicContact CD2-CD1 4.24Å; L59-F145 HydrophobicContact CD2-CG 4.29Å; L59-F145 HydrophobicContact CG-CD1 4.38Å; F138-F145 HydrophobicContact CE1-CB 4.38Å; F138-F145 HydrophobicContact CZ-CD2 4.23Å; F139-F145 HydrophobicContact CD1-CB 4.27Å; F139-F145 HydrophobicContact CE1-CB 4.02Å; I142-F145 HydrophobicContact CB-CD2 4.14Å; I142-F145 HydrophobicContact CG2-CD2 3.41Å; I142-F145 VanDerWaalsContact CG2-CD2 3.41Å; I142-F145 HydrophobicContact CG2-CE2 3.66Å; I142-F145 PolarHBondContact O-N 2.9Å; P143-F145 PolarHBondContact O-N 3.45Å; F145-S147 VanDerWaalsContact C-N 3.25Å; F145-S147 PolarHBondContact O-N 2.97Å; F145-M148 HydrophobicContact CD1-CE 4.18Å; F145-M148 HydrophobicContact CD1-CG 4.42Å; F145-M148 HydrophobicContact CD1-SD 3.4Å; F145-M148 WeakPolarHBondContact CD1-SD 3.46Å; F145-M148 HydrophobicContact CE1-CE 4.26Å; F145-M148 HydrophobicContact CE1-SD 3.63Å; F145-M148 HydrophobicContact CG-SD 4.39Å; F145-M148 PolarHBondContact O-N 3.39Å
146	Q	98.3	Very high	98.1	Very high	56 Å²	56	33.6 Å²	33.6	26%	0.262	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-62.9	-31.5	-178	-65.5	-174.1	4.5	0	0	112.9	F139 P143 K179 C180 N181	F139-Q146 HydrophobicContact CB-CG 4.11Å; F139-Q146 HydrophobicContact CD1-CG 4.14Å; F139-Q146 PolarHBondContact O-NE2 3.46Å; P143-Q146 WeakPolarHBondContact O-CB 3.22Å; P143-Q146 WeakPolarHBondContact O-CG 3.33Å; P143-Q146 PolarHBondContact O-N 2.94Å; Q146-K179 HydrophobicContact CG-CB 4.43Å; Q146-K179 VanDerWaalsContact CG-O 3.29Å; Q146-K179 WeakPolarHBondContact CG-O 3.13Å; Q146-C180 CarbonylContact O-C 3.55Å; Q146-C180 WeakPolarHBondContact O-CA 3.49Å; Q146-N181 PolarHBondContact O-N 3.4Å
147	S	97.4	Very high	98.1	Very high	91 Å²	91	28.2 Å²	28.2	64%	0.636	16%	0.161	S	C	*	.	S	Bend	trans	-90.5	-19.1	-179.4	52.7	0	0	0	0	113.9	F145 N181	F145-S147 VanDerWaalsContact C-N 3.25Å; F145-S147 PolarHBondContact O-N 2.97Å; S147-N181 PolarHBondContact O-ND2 3.07Å; S147-N181 VanDerWaalsContact O-ND2 3.15Å
148	M	97.9	Very high	98.1	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.049	15%	0.148	C	C	.	.	S	Bend	trans	-73.9	140.1	-177.3	-60.3	-173.8	-166.9	0	0	110.3	Y54 Q55 E144 F145 F150 N181	Y54-M148 HydrophobicContact CD2-CE 3.97Å; Y54-M148 HydrophobicContact CE2-CE 3.86Å; Q55-M148 HydrophobicContact CB-CE 4.08Å; Q55-M148 HydrophobicContact CG-CE 4.02Å; E144-M148 WeakPolarHBondContact O-CE 3.35Å; F145-M148 HydrophobicContact CD1-CE 4.18Å; F145-M148 HydrophobicContact CD1-CG 4.42Å; F145-M148 HydrophobicContact CD1-SD 3.4Å; F145-M148 WeakPolarHBondContact CD1-SD 3.46Å; F145-M148 HydrophobicContact CE1-CE 4.26Å; F145-M148 HydrophobicContact CE1-SD 3.63Å; F145-M148 HydrophobicContact CG-SD 4.39Å; F145-M148 PolarHBondContact O-N 3.39Å; M148-F150 PolarHBondContact O-N 3.41Å; M148-F150 VanDerWaalsContact O-N 3.15Å; M148-N181 WeakPolarHBondContact O-CB 3.47Å
149	P	98.6	Very high	98.1	Very high	53 Å²	53	25.6 Å²	25.6	34%	0.344	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	122.6	172.9	-25.6	35	0	0	0	110.6	P58 L59 Y151 A183	P58-P149 WeakPolarHBondContact CA-O 3.38Å; P58-P149 HydrophobicContact CB-CB 4.36Å; P58-P149 WeakPolarHBondContact CB-O 3.48Å; L59-P149 PolarHBondContact N-O 3.26Å; P149-Y151 HydrophobicContact CB-CE2 3.78Å; P149-A183 HydrophobicContact CB-CB 4.1Å
150	F	98.9	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.2	-176.2	173.7	-131.4	0	0	0	110.8	L59 M61 L135 F139 M148 I152 L169 N181 F182 A183	L59-F150 HydrophobicContact CB-CD2 4.1Å; L59-F150 HydrophobicContact CD2-CD2 3.66Å; L59-F150 HydrophobicContact CD2-CE2 4.05Å; L59-F150 HydrophobicContact CD2-CG 4.39Å; L59-F150 HydrophobicContact CG-CD2 3.73Å; L59-F150 HydrophobicContact CG-CE2 4.16Å; L59-F150 WeakPolarHBondContact O-CA 3.35Å; M61-F150 HydrophobicContact CB-CE2 3.6Å; M61-F150 HydrophobicContact CB-CZ 3.83Å; M61-F150 HydrophobicContact CE-CZ 4.27Å; M61-F150 HydrophobicContact SD-CZ 4.48Å; L135-F150 HydrophobicContact CD1-CE1 4.38Å; L135-F150 HydrophobicContact CD2-CE1 4.24Å; L135-F150 HydrophobicContact CD2-CZ 3.99Å; F139-F150 HydrophobicContact CE2-CD1 4.1Å; F139-F150 HydrophobicContact CE2-CE1 4.14Å; F139-F150 HydrophobicContact CZ-CB 4.35Å; F139-F150 AromaticContact CZ-CD1 3.81Å; F139-F150 HydrophobicContact CZ-CD1 3.81Å; F139-F150 HydrophobicContact CZ-CD2 4.32Å; F139-F150 HydrophobicContact CZ-CE1 4.17Å; F139-F150 AromaticContact CZ-CG 3.9Å; F139-F150 HydrophobicContact CZ-CG 3.9Å; M148-F150 PolarHBondContact O-N 3.41Å; M148-F150 VanDerWaalsContact O-N 3.15Å; F150-I152 HydrophobicContact CE1-CD1 4.19Å; F150-I152 HydrophobicContact CE1-CG1 4.02Å; F150-I152 HydrophobicContact CE2-CG1 4.35Å; F150-I152 HydrophobicContact CZ-CD1 4.19Å; F150-I152 HydrophobicContact CZ-CG1 3.71Å; F150-L169 HydrophobicContact CD1-CD2 4Å; F150-L169 HydrophobicContact CE1-CD2 3.59Å; F150-N181 PolarHBondContact N-O 2.96Å; F150-F182 AromaticContact CD1-CD2 3.8Å; F150-F182 HydrophobicContact CD1-CD2 3.8Å; F150-F182 HydrophobicContact CE1-CD2 4.27Å; F150-F182 WeakPolarHBondContact O-CD2 3.42Å; F150-A183 PolarHBondContact O-N 3.46Å
151	Y	98.9	Very high	98.1	Very high	14 Å²	14	20.8 Å²	20.8	6%	0.055	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.2	177.5	-63.7	-96.4	0	0	0	111.2	P58 L59 V60 M61 P149 F153 A183 G184 I434 T435	P58-Y151 HydrophobicContact CB-CD2 4Å; P58-Y151 HydrophobicContact CB-CE2 4.06Å; L59-Y151 PolarHBondContact O-N 2.93Å; V60-Y151 CarbonylContact C-O 3.51Å; V60-Y151 WeakPolarHBondContact CA-O 3.41Å; M61-Y151 PolarHBondContact N-O 3.15Å; P149-Y151 HydrophobicContact CB-CE2 3.78Å; Y151-F153 HydrophobicContact CG-CE2 4.36Å; Y151-A183 HydrophobicContact CD1-CB 4.17Å; Y151-A183 HydrophobicContact CD2-CB 4.1Å; Y151-A183 HydrophobicContact CE1-CB 3.71Å; Y151-A183 HydrophobicContact CE2-CB 3.62Å; Y151-A183 HydrophobicContact CG-CB 4.35Å; Y151-A183 VanDerWaalsContact CZ-CB 3.41Å; Y151-G184 WeakPolarHBondContact CA-O 3.35Å; Y151-I434 HydrophobicContact CD1-CG2 4.5Å; Y151-I434 HydrophobicContact CE1-CG2 4.46Å; Y151-T435 HydrophobicContact CD1-CG2 4.46Å; Y151-T435 HydrophobicContact CD2-CG2 3.77Å; Y151-T435 HydrophobicContact CE1-CG2 4.46Å; Y151-T435 HydrophobicContact CE2-CG2 3.78Å; Y151-T435 HydrophobicContact CG-CG2 4.11Å
152	I	98.9	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.7	169.9	-58.6	178.9	0	0	0	107.8	M61 L63 F150 A162 I165 L169 F182 G184 V185 A186	M61-I152 HydrophobicContact CB-CG1 4.49Å; M61-I152 HydrophobicContact CE-CB 4.34Å; M61-I152 HydrophobicContact CE-CD1 3.53Å; M61-I152 HydrophobicContact CE-CG1 3.66Å; M61-I152 HydrophobicContact CE-CG2 3.82Å; L63-I152 HydrophobicContact CD1-CG2 3.86Å; L63-I152 HydrophobicContact CG-CG2 4.27Å; F150-I152 HydrophobicContact CE1-CD1 4.19Å; F150-I152 HydrophobicContact CE1-CG1 4.02Å; F150-I152 HydrophobicContact CE2-CG1 4.35Å; F150-I152 HydrophobicContact CZ-CD1 4.19Å; F150-I152 HydrophobicContact CZ-CG1 3.71Å; I152-A162 HydrophobicContact CG2-CB 3.78Å; I152-I165 HydrophobicContact CD1-CG2 3.73Å; I152-L169 HydrophobicContact CD1-CD2 4.16Å; I152-F182 HydrophobicContact CD1-CE2 4.05Å; I152-F182 HydrophobicContact CG1-CE2 4.02Å; I152-G184 PolarHBondContact N-O 3.21Å; I152-G184 VanDerWaalsContact N-O 3.07Å; I152-V185 HydrophobicContact CB-CG2 4.28Å; I152-V185 HydrophobicContact CG2-CG2 4.5Å; I152-V185 CarbonylContact O-C 3.53Å; I152-V185 VanDerWaalsContact O-CA 3.29Å; I152-V185 WeakPolarHBondContact O-CA 3.03Å; I152-V185 WeakPolarHBondContact O-CG2 3.45Å; I152-A186 PolarHBondContact O-N 2.97Å
153	F	98.9	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.3	171.9	-83.2	-109.5	0	0	0	109.8	V60 M61 W62 L63 W94 Y151 A186 Y352 L431 I434 T435	V60-F153 HydrophobicContact CG1-CB 4.03Å; V60-F153 HydrophobicContact CG1-CD2 3.72Å; V60-F153 HydrophobicContact CG1-CG 4.09Å; V60-F153 HydrophobicContact CG2-CD2 4.35Å; V60-F153 HydrophobicContact CG2-CE2 4.4Å; M61-F153 PolarHBondContact O-N 3.15Å; W62-F153 WeakPolarHBondContact CA-O 3.4Å; W62-F153 HydrophobicContact CE3-CB 3.76Å; W62-F153 HydrophobicContact CZ3-CB 4.06Å; L63-F153 PolarHBondContact N-O 2.98Å; W94-F153 HydrophobicContact CH2-CB 4.45Å; W94-F153 AromaticContact CH2-CD1 3.42Å; W94-F153 HydrophobicContact CH2-CD1 3.42Å; W94-F153 VanDerWaalsContact CH2-CD1 3.42Å; W94-F153 AromaticContact CH2-CE1 3.87Å; W94-F153 HydrophobicContact CH2-CE1 3.87Å; W94-F153 HydrophobicContact CH2-CG 4.14Å; W94-F153 HydrophobicContact CZ3-CB 3.93Å; W94-F153 AromaticContact CZ3-CD1 3.49Å; W94-F153 HydrophobicContact CZ3-CD1 3.49Å; W94-F153 VanDerWaalsContact CZ3-CD1 3.49Å; W94-F153 HydrophobicContact CZ3-CD2 4.5Å; W94-F153 HydrophobicContact CZ3-CE1 4.06Å; W94-F153 AromaticContact CZ3-CG 3.72Å; W94-F153 HydrophobicContact CZ3-CG 3.72Å; Y151-F153 HydrophobicContact CG-CE2 4.36Å; F153-A186 WeakPolarHBondContact CA-O 3.5Å; F153-A186 HydrophobicContact CD1-CB 3.45Å; F153-A186 VanDerWaalsContact CD1-CB 3.45Å; F153-A186 HydrophobicContact CD2-CB 3.96Å; F153-A186 HydrophobicContact CE1-CB 3.43Å; F153-A186 VanDerWaalsContact CE1-CB 3.43Å; F153-A186 HydrophobicContact CE2-CB 3.93Å; F153-A186 HydrophobicContact CG-CB 3.75Å; F153-A186 HydrophobicContact CZ-CB 3.69Å; F153-Y352 HydrophobicContact CD1-CE1 4.04Å; F153-Y352 HydrophobicContact CE1-CE1 4.34Å; F153-L431 HydrophobicContact CE1-CD1 4.16Å; F153-L431 HydrophobicContact CE2-CD1 3.94Å; F153-L431 HydrophobicContact CZ-CD1 3.67Å; F153-I434 HydrophobicContact CE1-CD1 3.77Å; F153-I434 HydrophobicContact CE2-CG2 4.23Å; F153-I434 HydrophobicContact CZ-CB 4.03Å; F153-I434 HydrophobicContact CZ-CD1 3.82Å; F153-I434 HydrophobicContact CZ-CG2 3.68Å; F153-T435 HydrophobicContact CE2-CG2 4.4Å
154	S	98.6	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.3	-173.3	56.7	0	0	0	0	112.8	L63 G158 G159 A162 A186 G188 Y352	L63-S154 WeakPolarHBondContact O-CA 3.23Å; L63-S154 WeakPolarHBondContact O-CB 2.98Å; S154-G158 VanDerWaalsContact CB-C 3.48Å; S154-G158 WeakPolarHBondContact CB-O 3.48Å; S154-G159 WeakPolarHBondContact OG-CA 3.26Å; S154-A162 WeakPolarHBondContact OG-CB 3.43Å; S154-A186 PolarHBondContact N-O 2.9Å; S154-A186 PolarHBondContact OG-O 3.41Å; S154-G188 WeakPolarHBondContact O-CA 3.38Å; S154-G188 PolarHBondContact O-N 3.26Å; S154-Y352 PolarHBondContact O-OH 2.85Å
155	E	98.1	Very high	98.5	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147	175.8	-176.2	172.7	90.5	0	0	110.4	W62 L63 Q64 G65 Y157 G158 G188 M418	W62-E155 HydrophobicContact CH2-CB 4.23Å; W62-E155 HydrophobicContact CZ2-CB 4.01Å; L63-E155 PolarHBondContact O-N 3.06Å; L63-E155 VanDerWaalsContact O-N 3.13Å; Q64-E155 PolarHBondContact NE2-OE1 3.34Å; Q64-E155 PolarHBondContact OE1-OE1 3.39Å; G65-E155 PolarHBondContact N-O 3.35Å; E155-Y157 PolarHBondContact O-N 2.98Å; E155-G158 WeakPolarHBondContact O-CA 3.49Å; E155-G158 PolarHBondContact O-N 3.09Å; E155-G188 CarbonylContact C-O 3.48Å; E155-G188 VanDerWaalsContact CA-O 3.23Å; E155-G188 WeakPolarHBondContact CA-O 3.38Å; E155-M418 WeakPolarHBondContact OE2-CA 3.36Å
156	S	98.1	Very high	98.6	Very high	11 Å²	11	11.7 Å²	11.7	8%	0.077	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-134.6	168.3	-160.6	0	0	0	0	113.1	G158 G159 G188 D189 S190 W191 H417	S156-G158 PolarHBondContact O-N 2.95Å; S156-G158 VanDerWaalsContact O-N 3.16Å; S156-G159 PolarHBondContact O-N 3.08Å; S156-G188 PolarHBondContact N-O 3.06Å; S156-G188 VanDerWaalsContact N-O 3.1Å; S156-D189 WeakPolarHBondContact CA-O 3.14Å; S156-D189 PolarHBondContact N-O 3.01Å; S156-S190 WeakPolarHBondContact O-CA 3.28Å; S156-W191 PolarHBondContact O-N 2.87Å; S156-H417 WeakPolarHBondContact CB-NE2 3.3Å; S156-H417 PolarHBondContact OG-CE1 2.89Å; S156-H417 PolarHBondContact OG-NE2 2.97Å
157	Y	98.6	Very high	98.6	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.2	170.4	-163.7	-92.8	0	0	0	113.2	P67 V124 E155 G159 K160 M161 W191 M327 D330 F331	P67-Y157 HydrophobicContact CB-CD1 3.53Å; P67-Y157 HydrophobicContact CB-CE1 3.75Å; P67-Y157 HydrophobicContact CB-CG 4.22Å; P67-Y157 HydrophobicContact CG-CD1 3.82Å; P67-Y157 HydrophobicContact CG-CE1 3.83Å; P67-Y157 HydrophobicContact CG-CG 4.18Å; V124-Y157 HydrophobicContact CG1-CE1 4.5Å; E155-Y157 PolarHBondContact O-N 2.98Å; Y157-G159 PolarHBondContact O-N 2.73Å; Y157-K160 HydrophobicContact CD2-CD 4.12Å; Y157-K160 HydrophobicContact CD2-CG 4.45Å; Y157-K160 HydrophobicContact CE2-CD 3.61Å; Y157-K160 HydrophobicContact CE2-CG 4.35Å; Y157-K160 PolarHBondContact O-N 3.38Å; Y157-M161 HydrophobicContact CD1-CE 4.12Å; Y157-M161 HydrophobicContact CD1-CG 4.04Å; Y157-M161 HydrophobicContact CD1-SD 4.11Å; Y157-M161 HydrophobicContact CE1-CG 3.99Å; Y157-M161 HydrophobicContact CE1-SD 4.23Å; Y157-M161 PolarHBondContact O-N 3.35Å; Y157-W191 AromaticContact CD2-CD1 3.88Å; Y157-M327 HydrophobicContact CE1-CE 3.65Å; Y157-M327 HydrophobicContact CE1-SD 4.11Å; Y157-M327 VanDerWaalsContact OH-CE 3.26Å; Y157-M327 WeakPolarHBondContact OH-CE 3.4Å; Y157-D330 PolarHBondContact OH-OD1 3.33Å; Y157-F331 AromaticContact CD2-CD2 3.76Å; Y157-F331 HydrophobicContact CD2-CD2 3.76Å; Y157-F331 AromaticContact CD2-CE2 4Å; Y157-F331 HydrophobicContact CD2-CE2 4Å; Y157-F331 AromaticContact CE2-CD2 3.93Å; Y157-F331 HydrophobicContact CE2-CD2 3.93Å
158	G	98.6	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-54.8	-31.9	170.8	0	0	0	0	0	112.1	S154 E155 S156 K160 M161 A162	S154-G158 VanDerWaalsContact CB-C 3.48Å; S154-G158 WeakPolarHBondContact CB-O 3.48Å; E155-G158 WeakPolarHBondContact O-CA 3.49Å; E155-G158 PolarHBondContact O-N 3.09Å; S156-G158 PolarHBondContact O-N 2.95Å; S156-G158 VanDerWaalsContact O-N 3.16Å; G158-K160 PolarHBondContact O-N 3.1Å; G158-M161 PolarHBondContact O-N 2.95Å; G158-A162 VanDerWaalsContact O-CB 3.25Å; G158-A162 WeakPolarHBondContact O-CB 3.36Å; G158-A162 PolarHBondContact O-N 2.71Å
159	G	98.4	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-41.5	174.3	0	0	0	0	0	114	S154 S156 Y157 M161 A162 A163 L187 S190	S154-G159 WeakPolarHBondContact OG-CA 3.26Å; S156-G159 PolarHBondContact O-N 3.08Å; Y157-G159 PolarHBondContact O-N 2.73Å; G159-M161 VanDerWaalsContact C-N 3.34Å; G159-A162 PolarHBondContact O-N 3.01Å; G159-A163 WeakPolarHBondContact O-CB 3.32Å; G159-A163 PolarHBondContact O-N 3.4Å; G159-L187 WeakPolarHBondContact O-CD2 3.16Å; G159-S190 VanDerWaalsContact CA-OG 3.29Å; G159-S190 WeakPolarHBondContact CA-OG 3.46Å
160	K	98.3	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.7	-44.3	175.1	-63.9	-158.4	-171.9	175.4	0	111.2	V124 Y157 G158 A164 W191 D330 F331 R333 V335	V124-K160 HydrophobicContact CG1-CB 4.08Å; Y157-K160 HydrophobicContact CD2-CD 4.12Å; Y157-K160 HydrophobicContact CD2-CG 4.45Å; Y157-K160 HydrophobicContact CE2-CD 3.61Å; Y157-K160 HydrophobicContact CE2-CG 4.35Å; Y157-K160 PolarHBondContact O-N 3.38Å; G158-K160 PolarHBondContact O-N 3.1Å; K160-A164 PolarHBondContact O-N 3.2Å; K160-A164 VanDerWaalsContact O-N 3.12Å; K160-W191 WeakPolarHBondContact CD-O 3.23Å; K160-W191 WeakPolarHBondContact CE-O 3.48Å; K160-W191 WeakPolarHBondContact CG-O 3.3Å; K160-D330 PolarHBondContact NZ-O 2.9Å; K160-D330 IonicContact NZ-OD1 3.8Å; K160-F331 PolarHBondContact NZ-O 2.85Å; K160-R333 WeakPolarHBondContact CE-O 3.32Å; K160-R333 PolarHBondContact NZ-O 2.93Å; K160-V335 HydrophobicContact CB-CG2 3.95Å; K160-V335 HydrophobicContact CD-CG1 4.2Å; K160-V335 HydrophobicContact CD-CG2 4.03Å; K160-V335 HydrophobicContact CG-CG2 3.66Å
161	M	98.8	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.2	-47.3	178.6	-60.5	-171.8	-70.5	0	0	110.1	Q64 N105 V124 V127 Y157 G158 G159 A163 A164 I165	Q64-M161 VanDerWaalsContact O-CE 3.28Å; Q64-M161 WeakPolarHBondContact O-CE 3.36Å; N105-M161 PolarHBondContact ND2-SD 3.01Å; V124-M161 HydrophobicContact CG1-CG 4.5Å; V127-M161 HydrophobicContact CG1-CB 4.13Å; V127-M161 HydrophobicContact CG1-CG 4.03Å; V127-M161 HydrophobicContact CG1-SD 3.94Å; Y157-M161 HydrophobicContact CD1-CE 4.12Å; Y157-M161 HydrophobicContact CD1-CG 4.04Å; Y157-M161 HydrophobicContact CD1-SD 4.11Å; Y157-M161 HydrophobicContact CE1-CG 3.99Å; Y157-M161 HydrophobicContact CE1-SD 4.23Å; Y157-M161 PolarHBondContact O-N 3.35Å; G158-M161 PolarHBondContact O-N 2.95Å; G159-M161 VanDerWaalsContact C-N 3.34Å; M161-A163 PolarHBondContact O-N 3.41Å; M161-A164 PolarHBondContact O-N 3.39Å; M161-I165 HydrophobicContact CB-CD1 4.25Å; M161-I165 VanDerWaalsContact O-CB 3.29Å; M161-I165 WeakPolarHBondContact O-CB 3.38Å; M161-I165 VanDerWaalsContact O-CD1 3.29Å; M161-I165 WeakPolarHBondContact O-CD1 3.11Å; M161-I165 WeakPolarHBondContact O-CG1 3.44Å; M161-I165 PolarHBondContact O-N 2.76Å
162	A	98.9	Very high	98.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-43.8	178.8	0	0	0	0	0	112.6	L63 I152 S154 G158 G159 S166 V185 L187	L63-A162 HydrophobicContact CD1-CB 4.15Å; I152-A162 HydrophobicContact CG2-CB 3.78Å; S154-A162 WeakPolarHBondContact OG-CB 3.43Å; G158-A162 VanDerWaalsContact O-CB 3.25Å; G158-A162 WeakPolarHBondContact O-CB 3.36Å; G158-A162 PolarHBondContact O-N 2.71Å; G159-A162 PolarHBondContact O-N 3.01Å; A162-S166 WeakPolarHBondContact O-CB 3.34Å; A162-S166 PolarHBondContact O-N 2.68Å; A162-S166 PolarHBondContact O-OG 3.47Å; A162-V185 HydrophobicContact CB-CG2 3.88Å; A162-L187 HydrophobicContact CB-CD2 4.11Å
163	A	98.8	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-50	176	0	0	0	0	0	111.4	G159 M161 S166 L167 I338 V339 L342	G159-A163 WeakPolarHBondContact O-CB 3.32Å; G159-A163 PolarHBondContact O-N 3.4Å; M161-A163 PolarHBondContact O-N 3.41Å; A163-S166 PolarHBondContact O-N 3.33Å; A163-L167 PolarHBondContact O-N 2.75Å; A163-I338 HydrophobicContact CB-CG2 3.92Å; A163-I338 WeakPolarHBondContact O-CG2 3.36Å; A163-V339 HydrophobicContact CB-CG2 4.49Å; A163-L342 HydrophobicContact CB-CD1 4.2Å
164	A	98.9	Very high	98.6	Very high	7 Å²	7	16.4 Å²	16.4	6%	0.058	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-45.3	179.2	0	0	0	0	0	112.3	V124 A128 K160 M161 S166 L167 E168 I338	V124-A164 HydrophobicContact CB-CB 3.96Å; V124-A164 HydrophobicContact CG2-CB 4.15Å; A128-A164 HydrophobicContact CB-CB 4.23Å; K160-A164 PolarHBondContact O-N 3.2Å; K160-A164 VanDerWaalsContact O-N 3.12Å; M161-A164 PolarHBondContact O-N 3.39Å; A164-S166 VanDerWaalsContact C-N 3.34Å; A164-S166 PolarHBondContact O-N 2.98Å; A164-L167 PolarHBondContact O-N 3.13Å; A164-E168 PolarHBondContact O-N 2.89Å; A164-E168 VanDerWaalsContact O-N 3.15Å; A164-I338 HydrophobicContact CB-CD1 4.08Å
165	I	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-46.1	176.6	-70.9	161.3	0	0	0	110.3	M61 L63 V127 A128 M131 L135 I152 M161 L167 E168 L169	M61-I165 HydrophobicContact CE-CG2 4.34Å; L63-I165 HydrophobicContact CD1-CD1 3.56Å; V127-I165 HydrophobicContact CG1-CD1 4.3Å; A128-I165 HydrophobicContact CB-CG1 4.26Å; M131-I165 HydrophobicContact CB-CD1 3.91Å; M131-I165 HydrophobicContact CB-CG1 3.8Å; M131-I165 HydrophobicContact CB-CG2 4.22Å; M131-I165 HydrophobicContact CE-CD1 3.94Å; M131-I165 HydrophobicContact CG-CB 4.44Å; M131-I165 HydrophobicContact CG-CD1 3.8Å; M131-I165 HydrophobicContact CG-CG1 3.93Å; M131-I165 HydrophobicContact CG-CG2 3.6Å; L135-I165 HydrophobicContact CD1-CG2 4.3Å; I152-I165 HydrophobicContact CD1-CG2 3.73Å; M161-I165 HydrophobicContact CB-CD1 4.25Å; M161-I165 VanDerWaalsContact O-CB 3.29Å; M161-I165 WeakPolarHBondContact O-CB 3.38Å; M161-I165 VanDerWaalsContact O-CD1 3.29Å; M161-I165 WeakPolarHBondContact O-CD1 3.11Å; M161-I165 WeakPolarHBondContact O-CG1 3.44Å; M161-I165 PolarHBondContact O-N 2.76Å; I165-L167 VanDerWaalsContact C-N 3.32Å; I165-L167 PolarHBondContact O-N 3.11Å; I165-E168 PolarHBondContact O-N 3.01Å; I165-L169 WeakPolarHBondContact O-CB 3.35Å; I165-L169 PolarHBondContact O-N 2.84Å
166	S	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-37.3	-177.6	-67.1	0	0	0	0	111.9	A162 A163 A164 L169 S170 F182 V185	A162-S166 WeakPolarHBondContact O-CB 3.34Å; A162-S166 PolarHBondContact O-N 2.68Å; A162-S166 PolarHBondContact O-OG 3.47Å; A163-S166 PolarHBondContact O-N 3.33Å; A164-S166 VanDerWaalsContact C-N 3.34Å; A164-S166 PolarHBondContact O-N 2.98Å; S166-L169 PolarHBondContact O-N 3.17Å; S166-S170 WeakPolarHBondContact O-CB 3.49Å; S166-S170 PolarHBondContact O-N 3.29Å; S166-S170 PolarHBondContact O-OG 3.09Å; S166-F182 WeakPolarHBondContact OG-CZ 3.49Å; S166-V185 WeakPolarHBondContact OG-CB 3.48Å; S166-V185 WeakPolarHBondContact OG-CG2 3.46Å
167	L	98.9	Very high	98.5	Very high	11 Å²	11	29 Å²	29	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-46.8	177.4	-179.7	60.6	0	0	0	110.3	A163 A164 I165 S170 K171 I338 Q341 L342	A163-L167 PolarHBondContact O-N 2.75Å; A164-L167 PolarHBondContact O-N 3.13Å; I165-L167 VanDerWaalsContact C-N 3.32Å; I165-L167 PolarHBondContact O-N 3.11Å; L167-S170 PolarHBondContact O-N 3.25Å; L167-S170 PolarHBondContact O-OG 2.85Å; L167-K171 WeakPolarHBondContact O-CG 3.4Å; L167-K171 PolarHBondContact O-N 2.58Å; L167-I338 HydrophobicContact CB-CG2 4.03Å; L167-I338 HydrophobicContact CD2-CG2 3.93Å; L167-Q341 HydrophobicContact CD1-CB 3.93Å; L167-Q341 HydrophobicContact CD2-CB 4.08Å; L167-L342 HydrophobicContact CB-CD2 3.99Å; L167-L342 HydrophobicContact CB-CG 4.32Å; L167-L342 HydrophobicContact CD1-CD2 4.39Å
168	E	98.8	Very high	98.5	Very high	71 Å²	71	29.3 Å²	29.3	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-69.8	-34.6	177.8	-66.6	-52.2	126.7	0	0	112.7	A128 L132 A164 I165 K171 A172	A128-E168 HydrophobicContact CB-CB 4.42Å; A128-E168 HydrophobicContact CB-CG 4.1Å; L132-E168 HydrophobicContact CD1-CB 3.84Å; L132-E168 HydrophobicContact CG-CB 4.28Å; A164-E168 PolarHBondContact O-N 2.89Å; A164-E168 VanDerWaalsContact O-N 3.15Å; I165-E168 PolarHBondContact O-N 3.01Å; E168-K171 PolarHBondContact O-N 2.84Å; E168-K171 IonicContact OE1-NZ 2.9Å; E168-K171 PolarHBondContact OE1-NZ 3.05Å; E168-A172 WeakPolarHBondContact O-CB 3.46Å; E168-A172 PolarHBondContact O-N 2.67Å
169	L	98.9	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-44.8	174.7	-179.8	63.2	0	0	0	111.5	L132 L135 F150 I152 I165 S166 K171 A172 V173 V178 F182	L132-L169 HydrophobicContact CD2-CB 4.11Å; L132-L169 HydrophobicContact CD2-CD1 4.16Å; L135-L169 HydrophobicContact CD1-CD1 4.1Å; L135-L169 HydrophobicContact CD1-CD2 4.05Å; F150-L169 HydrophobicContact CD1-CD2 4Å; F150-L169 HydrophobicContact CE1-CD2 3.59Å; I152-L169 HydrophobicContact CD1-CD2 4.16Å; I165-L169 WeakPolarHBondContact O-CB 3.35Å; I165-L169 PolarHBondContact O-N 2.84Å; S166-L169 PolarHBondContact O-N 3.17Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 3.03Å; L169-A172 PolarHBondContact O-N 3.47Å; L169-V173 HydrophobicContact CD1-CG2 4.01Å; L169-V173 HydrophobicContact CG-CG2 4.24Å; L169-V173 WeakPolarHBondContact O-CB 3.15Å; L169-V173 WeakPolarHBondContact O-CG2 3.25Å; L169-V173 PolarHBondContact O-N 3.12Å; L169-V178 HydrophobicContact CD1-CB 4.22Å; L169-V178 HydrophobicContact CD1-CG1 3.8Å; L169-F182 HydrophobicContact CD2-CB 4.24Å; L169-F182 HydrophobicContact CD2-CD1 4.25Å; L169-F182 HydrophobicContact CD2-CD2 3.6Å; L169-F182 HydrophobicContact CD2-CE2 3.99Å; L169-F182 HydrophobicContact CD2-CG 3.75Å; L169-F182 HydrophobicContact CD2-CZ 4.47Å; L169-F182 HydrophobicContact CG-CD1 4.45Å; L169-F182 HydrophobicContact CG-CG 4.27Å
170	S	98.7	Very high	98.5	Very high	25 Å²	25	36.6 Å²	36.6	18%	0.175	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-42.4	177.6	72.4	0	0	0	0	111.5	S166 L167 A174	S166-S170 WeakPolarHBondContact O-CB 3.49Å; S166-S170 PolarHBondContact O-N 3.29Å; S166-S170 PolarHBondContact O-OG 3.09Å; L167-S170 PolarHBondContact O-N 3.25Å; L167-S170 PolarHBondContact O-OG 2.85Å; S170-A174 WeakPolarHBondContact O-CB 3.34Å; S170-A174 PolarHBondContact O-N 2.95Å
171	K	98.6	Very high	98.5	Very high	74 Å²	74	40.2 Å²	40.2	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-42.1	173.8	-64.6	168.5	-170.6	169.1	0	111.5	L167 E168 L169 K175	L167-K171 WeakPolarHBondContact O-CG 3.4Å; L167-K171 PolarHBondContact O-N 2.58Å; E168-K171 PolarHBondContact O-N 2.84Å; E168-K171 IonicContact OE1-NZ 2.9Å; E168-K171 PolarHBondContact OE1-NZ 3.05Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 3.03Å; K171-K175 WeakPolarHBondContact O-CB 3.44Å; K171-K175 VanDerWaalsContact O-CG 3.28Å; K171-K175 WeakPolarHBondContact O-CG 3.32Å; K171-K175 PolarHBondContact O-N 3.43Å; K171-K175 VanDerWaalsContact O-N 3.09Å
172	A	98.7	Very high	98.5	Very high	6 Å²	6	41.8 Å²	41.8	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-38.4	-179.1	0	0	0	0	0	112.6	L132 E168 L169 K175 G176 S177 V178	L132-A172 HydrophobicContact CD1-CB 4.31Å; L132-A172 HydrophobicContact CD2-CB 4.19Å; E168-A172 WeakPolarHBondContact O-CB 3.46Å; E168-A172 PolarHBondContact O-N 2.67Å; L169-A172 PolarHBondContact O-N 3.47Å; A172-K175 PolarHBondContact O-N 3.09Å; A172-G176 PolarHBondContact O-N 2.57Å; A172-S177 WeakPolarHBondContact CA-OG 3.39Å; A172-S177 WeakPolarHBondContact CB-OG 3.28Å; A172-S177 PolarHBondContact O-N 3.33Å; A172-S177 PolarHBondContact O-OG 3.18Å; A172-V178 HydrophobicContact CB-CB 4.23Å; A172-V178 HydrophobicContact CB-CG2 3.89Å; A172-V178 PolarHBondContact O-N 3.23Å
173	V	98.6	Very high	98.5	Very high	46 Å²	46	42.6 Å²	42.6	28%	0.279	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-47.2	174.5	171.1	0	0	0	0	110.7	L169 K175 G176 C180 F182	L169-V173 HydrophobicContact CD1-CG2 4.01Å; L169-V173 HydrophobicContact CG-CG2 4.24Å; L169-V173 WeakPolarHBondContact O-CB 3.15Å; L169-V173 WeakPolarHBondContact O-CG2 3.25Å; L169-V173 PolarHBondContact O-N 3.12Å; V173-K175 PolarHBondContact O-N 3.48Å; V173-G176 WeakPolarHBondContact O-CA 3.26Å; V173-G176 PolarHBondContact O-N 3.11Å; V173-C180 VanDerWaalsContact CG2-SG 3.57Å; V173-F182 HydrophobicContact CG2-CB 4.48Å
174	A	98.2	Very high	98.5	Very high	91 Å²	91	42.7 Å²	42.7	75%	0.752	24%	0.244	S	C	*	.	H	α-helix	trans	-59.2	-32.4	176.5	0	0	0	0	0	112.7	S170 G176	S170-A174 WeakPolarHBondContact O-CB 3.34Å; S170-A174 PolarHBondContact O-N 2.95Å; A174-G176 VanDerWaalsContact C-N 3.33Å
175	K	98.1	Very high	98.5	Very high	171 Å²	171	42.5 Å²	42.5	74%	0.743	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.5	174	-69.6	172.4	-176.4	175.4	0	114	K171 A172 V173 S177	K171-K175 WeakPolarHBondContact O-CB 3.44Å; K171-K175 VanDerWaalsContact O-CG 3.28Å; K171-K175 WeakPolarHBondContact O-CG 3.32Å; K171-K175 PolarHBondContact O-N 3.43Å; K171-K175 VanDerWaalsContact O-N 3.09Å; A172-K175 PolarHBondContact O-N 3.09Å; V173-K175 PolarHBondContact O-N 3.48Å; K175-S177 PolarHBondContact O-N 3.14Å
176	G	97.4	Very high	98.5	Very high	50 Å²	50	42.5 Å²	42.5	52%	0.515	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	13.1	-176	0	0	0	0	0	114.9	A172 V173 A174	A172-G176 PolarHBondContact O-N 2.57Å; V173-G176 WeakPolarHBondContact O-CA 3.26Å; V173-G176 PolarHBondContact O-N 3.11Å; A174-G176 VanDerWaalsContact C-N 3.33Å
177	S	97.6	Very high	98.5	Very high	57 Å²	57	42.5 Å²	42.5	40%	0.399	24%	0.242	S	C	.	.	S	Bend	trans	-82.1	-24.1	-177.8	64.6	0	0	0	0	113.7	A172 K175	A172-S177 WeakPolarHBondContact CA-OG 3.39Å; A172-S177 WeakPolarHBondContact CB-OG 3.28Å; A172-S177 PolarHBondContact O-N 3.33Å; A172-S177 PolarHBondContact O-OG 3.18Å; K175-S177 PolarHBondContact O-N 3.14Å
178	V	98.4	Very high	98.5	Very high	6 Å²	6	42 Å²	42	4%	0.036	24%	0.24	C	C	.	.	S	Bend	trans	-122.8	130.1	166.5	177.5	0	0	0	0	106.9	K136 F139 L169 A172	K136-V178 HydrophobicContact CB-CG2 4.11Å; F139-V178 HydrophobicContact CD2-CG1 4.16Å; L169-V178 HydrophobicContact CD1-CB 4.22Å; L169-V178 HydrophobicContact CD1-CG1 3.8Å; A172-V178 HydrophobicContact CB-CB 4.23Å; A172-V178 HydrophobicContact CB-CG2 3.89Å; A172-V178 PolarHBondContact O-N 3.23Å
179	K	98.3	Very high	98.5	Very high	139 Å²	139	38.6 Å²	38.6	60%	0.604	22%	0.224	S	C	*	.			trans	-101.7	102.1	178.4	-67.8	-175.2	179.1	-176.6	0	109.1	Q146	Q146-K179 HydrophobicContact CG-CB 4.43Å; Q146-K179 VanDerWaalsContact CG-O 3.29Å; Q146-K179 WeakPolarHBondContact CG-O 3.13Å
180	C	98.5	Very high	98.4	Very high	15 Å²	15	38.6 Å²	38.6	10%	0.101	22%	0.224	C	C	.	.			trans	-155.3	160.2	169.4	63.7	0	0	0	0	110.5	F139 Q146 V173 F182	F139-C180 HydrophobicContact CD1-CB 3.98Å; F139-C180 HydrophobicContact CD2-CB 3.74Å; F139-C180 HydrophobicContact CE1-CB 3.67Å; F139-C180 HydrophobicContact CE2-CB 3.43Å; F139-C180 VanDerWaalsContact CE2-CB 3.43Å; F139-C180 HydrophobicContact CG-CB 4.03Å; F139-C180 HydrophobicContact CZ-CB 3.4Å; Q146-C180 CarbonylContact O-C 3.55Å; Q146-C180 WeakPolarHBondContact O-CA 3.49Å; V173-C180 VanDerWaalsContact CG2-SG 3.57Å; C180-F182 PolarHBondContact O-N 2.91Å
181	N	98.4	Very high	98.4	Very high	75 Å²	75	37.5 Å²	37.5	40%	0.401	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	72.3	172.3	-179.8	17.7	0	0	0	109.7	Q146 S147 M148 F150 A183	Q146-N181 PolarHBondContact O-N 3.4Å; S147-N181 PolarHBondContact O-ND2 3.07Å; S147-N181 VanDerWaalsContact O-ND2 3.15Å; M148-N181 WeakPolarHBondContact O-CB 3.47Å; F150-N181 PolarHBondContact N-O 2.96Å; N181-A183 PolarHBondContact O-N 3.15Å
182	F	98.8	Very high	98.4	Very high	33 Å²	33	34 Å²	34	15%	0.145	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	117	-178.8	-177.6	-125.9	0	0	0	111.2	F150 I152 S166 L169 V173 C180 G184 V347	F150-F182 AromaticContact CD1-CD2 3.8Å; F150-F182 HydrophobicContact CD1-CD2 3.8Å; F150-F182 HydrophobicContact CE1-CD2 4.27Å; F150-F182 WeakPolarHBondContact O-CD2 3.42Å; I152-F182 HydrophobicContact CD1-CE2 4.05Å; I152-F182 HydrophobicContact CG1-CE2 4.02Å; S166-F182 WeakPolarHBondContact OG-CZ 3.49Å; L169-F182 HydrophobicContact CD2-CB 4.24Å; L169-F182 HydrophobicContact CD2-CD1 4.25Å; L169-F182 HydrophobicContact CD2-CD2 3.6Å; L169-F182 HydrophobicContact CD2-CE2 3.99Å; L169-F182 HydrophobicContact CD2-CG 3.75Å; L169-F182 HydrophobicContact CD2-CZ 4.47Å; L169-F182 HydrophobicContact CG-CD1 4.45Å; L169-F182 HydrophobicContact CG-CG 4.27Å; V173-F182 HydrophobicContact CG2-CB 4.48Å; C180-F182 PolarHBondContact O-N 2.91Å; F182-G184 VanDerWaalsContact CE2-O 3.24Å; F182-G184 WeakPolarHBondContact CE2-O 3.21Å; F182-V347 HydrophobicContact CE1-CG1 3.82Å; F182-V347 HydrophobicContact CE1-CG2 4.43Å; F182-V347 HydrophobicContact CZ-CG1 4.24Å
183	A	98.6	Very high	98.4	Very high	18 Å²	18	34.1 Å²	34.1	15%	0.149	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-26.7	-168.2	0	0	0	0	0	113.8	P149 F150 Y151 N181 N348	P149-A183 HydrophobicContact CB-CB 4.1Å; F150-A183 PolarHBondContact O-N 3.46Å; Y151-A183 HydrophobicContact CD1-CB 4.17Å; Y151-A183 HydrophobicContact CD2-CB 4.1Å; Y151-A183 HydrophobicContact CE1-CB 3.71Å; Y151-A183 HydrophobicContact CE2-CB 3.62Å; Y151-A183 HydrophobicContact CG-CB 4.35Å; Y151-A183 VanDerWaalsContact CZ-CB 3.41Å; N181-A183 PolarHBondContact O-N 3.15Å; A183-N348 WeakPolarHBondContact O-CB 3.46Å; A183-N348 PolarHBondContact O-ND2 3.13Å
184	G	98.7	Very high	98.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	177.6	177.1	0	0	0	0	0	115.3	Y151 I152 F182 N348	Y151-G184 WeakPolarHBondContact CA-O 3.35Å; I152-G184 PolarHBondContact N-O 3.21Å; I152-G184 VanDerWaalsContact N-O 3.07Å; F182-G184 VanDerWaalsContact CE2-O 3.24Å; F182-G184 WeakPolarHBondContact CE2-O 3.21Å; G184-N348 CarbonylContact C-O 3.54Å; G184-N348 WeakPolarHBondContact CA-O 3.44Å
185	V	98.9	Very high	98.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.6	177.3	62.8	0	0	0	0	110.4	I152 A162 S166 L187 L342 N348 V349 T350	I152-V185 HydrophobicContact CB-CG2 4.28Å; I152-V185 HydrophobicContact CG2-CG2 4.5Å; I152-V185 CarbonylContact O-C 3.53Å; I152-V185 VanDerWaalsContact O-CA 3.29Å; I152-V185 WeakPolarHBondContact O-CA 3.03Å; I152-V185 WeakPolarHBondContact O-CG2 3.45Å; A162-V185 HydrophobicContact CB-CG2 3.88Å; S166-V185 WeakPolarHBondContact OG-CB 3.48Å; S166-V185 WeakPolarHBondContact OG-CG2 3.46Å; V185-L187 HydrophobicContact CG2-CD2 3.72Å; V185-L187 HydrophobicContact CG2-CG 4.43Å; V185-L342 HydrophobicContact CG1-CD1 4.14Å; V185-N348 PolarHBondContact N-O 3.2Å; V185-V349 HydrophobicContact CG1-CB 4.38Å; V185-V349 HydrophobicContact CG1-CG1 4.31Å; V185-V349 HydrophobicContact CG1-CG2 3.94Å; V185-V349 WeakPolarHBondContact O-CA 3.44Å; V185-T350 PolarHBondContact O-N 3.11Å
186	A	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.6	176.4	0	0	0	0	0	110	I152 F153 S154 T350 Y352 I434	I152-A186 PolarHBondContact O-N 2.97Å; F153-A186 WeakPolarHBondContact CA-O 3.5Å; F153-A186 HydrophobicContact CD1-CB 3.45Å; F153-A186 VanDerWaalsContact CD1-CB 3.45Å; F153-A186 HydrophobicContact CD2-CB 3.96Å; F153-A186 HydrophobicContact CE1-CB 3.43Å; F153-A186 VanDerWaalsContact CE1-CB 3.43Å; F153-A186 HydrophobicContact CE2-CB 3.93Å; F153-A186 HydrophobicContact CG-CB 3.75Å; F153-A186 HydrophobicContact CZ-CB 3.69Å; S154-A186 PolarHBondContact N-O 2.9Å; S154-A186 PolarHBondContact OG-O 3.41Å; A186-T350 CarbonylContact C-O 3.54Å; A186-T350 WeakPolarHBondContact CA-O 3.14Å; A186-Y352 HydrophobicContact CB-CD1 4.21Å; A186-Y352 HydrophobicContact CB-CE1 3.79Å; A186-I434 HydrophobicContact CB-CD1 4.45Å
187	L	98.8	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	93.2	-171	-55.2	178.7	0	0	0	108.2	G159 A162 V185 S190 I192 V339 V349 T350 V351 Y352	G159-L187 WeakPolarHBondContact O-CD2 3.16Å; A162-L187 HydrophobicContact CB-CD2 4.11Å; V185-L187 HydrophobicContact CG2-CD2 3.72Å; V185-L187 HydrophobicContact CG2-CG 4.43Å; L187-S190 VanDerWaalsContact CA-OG 3.29Å; L187-S190 WeakPolarHBondContact CA-OG 3.25Å; L187-S190 WeakPolarHBondContact CB-OG 3.33Å; L187-I192 HydrophobicContact CD1-CD1 4.18Å; L187-I192 HydrophobicContact CD1-CG1 4.35Å; L187-V339 HydrophobicContact CD1-CG2 4.18Å; L187-V349 HydrophobicContact CD1-CG1 3.99Å; L187-T350 PolarHBondContact N-O 2.71Å; L187-V351 HydrophobicContact CB-CG2 4.49Å; L187-V351 HydrophobicContact CD1-CG2 4.46Å; L187-V351 WeakPolarHBondContact O-CA 3.39Å; L187-Y352 PolarHBondContact O-N 3.35Å
188	G	98.4	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.4	176.8	0	0	0	0	0	111.3	S154 E155 S156 S190 Y352	S154-G188 WeakPolarHBondContact O-CA 3.38Å; S154-G188 PolarHBondContact O-N 3.26Å; E155-G188 CarbonylContact C-O 3.48Å; E155-G188 VanDerWaalsContact CA-O 3.23Å; E155-G188 WeakPolarHBondContact CA-O 3.38Å; S156-G188 PolarHBondContact N-O 3.06Å; S156-G188 VanDerWaalsContact N-O 3.1Å; G188-S190 PolarHBondContact N-OG 3.49Å; G188-S190 VanDerWaalsContact O-CA 3.28Å; G188-S190 WeakPolarHBondContact O-CA 3.41Å; G188-S190 PolarHBondContact O-N 3.06Å; G188-S190 PolarHBondContact O-OG 2.99Å; G188-Y352 CarbonylContact C-O 3.51Å; G188-Y352 VanDerWaalsContact CA-CE1 3.43Å; G188-Y352 VanDerWaalsContact CA-O 3.28Å; G188-Y352 WeakPolarHBondContact CA-O 3.4Å; G188-Y352 VanDerWaalsContact N-CE1 3.28Å
189	D	98.4	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	39.3	45.9	173.5	-66.4	-112.1	0	0	0	112.4	S156 Y352 N353 G354 D357 V360 H417 I419	S156-D189 WeakPolarHBondContact CA-O 3.14Å; S156-D189 PolarHBondContact N-O 3.01Å; D189-Y352 PolarHBondContact N-O 3.21Å; D189-N353 WeakPolarHBondContact CA-ND2 3.49Å; D189-N353 VanDerWaalsContact OD2-CA 3.26Å; D189-N353 WeakPolarHBondContact OD2-CA 3.29Å; D189-G354 PolarHBondContact OD1-N 3.43Å; D189-G354 PolarHBondContact OD2-N 2.76Å; D189-G354 VanDerWaalsContact OD2-N 3.14Å; D189-D357 WeakPolarHBondContact OD1-CB 3.41Å; D189-V360 VanDerWaalsContact O-CG2 3.25Å; D189-V360 WeakPolarHBondContact O-CG2 3.29Å; D189-H417 PolarHBondContact O-CE1 2.84Å; D189-I419 WeakPolarHBondContact OD2-CD1 3.33Å
190	S	98	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.			trans	-91.8	134	-155.7	-76.1	0	0	0	0	113	S156 G159 L187 G188 I192 V360 Q365	S156-S190 WeakPolarHBondContact O-CA 3.28Å; G159-S190 VanDerWaalsContact CA-OG 3.29Å; G159-S190 WeakPolarHBondContact CA-OG 3.46Å; L187-S190 VanDerWaalsContact CA-OG 3.29Å; L187-S190 WeakPolarHBondContact CA-OG 3.25Å; L187-S190 WeakPolarHBondContact CB-OG 3.33Å; G188-S190 PolarHBondContact N-OG 3.49Å; G188-S190 VanDerWaalsContact O-CA 3.28Å; G188-S190 WeakPolarHBondContact O-CA 3.41Å; G188-S190 PolarHBondContact O-N 3.06Å; G188-S190 PolarHBondContact O-OG 2.99Å; S190-I192 PolarHBondContact O-N 2.76Å; S190-V360 VanDerWaalsContact O-CG1 3.29Å; S190-V360 WeakPolarHBondContact O-CG1 3.4Å; S190-Q365 PolarHBondContact O-NE2 3.09Å
191	W	98.3	Very high	98.6	Very high	2 Å²	2	13 Å²	13	1%	0.008	7%	0.07	C	C	.	.			trans	-74.4	46.9	-178.7	-160.2	-127.2	0	0	0	113	S156 Y157 K160 P194 V198 W201 W242 F331 M332 I359 V360	S156-W191 PolarHBondContact O-N 2.87Å; Y157-W191 AromaticContact CD2-CD1 3.88Å; K160-W191 WeakPolarHBondContact CD-O 3.23Å; K160-W191 WeakPolarHBondContact CE-O 3.48Å; K160-W191 WeakPolarHBondContact CG-O 3.3Å; W191-P194 HydrophobicContact CD2-CB 4.14Å; W191-P194 HydrophobicContact CD2-CG 4.14Å; W191-P194 VanDerWaalsContact CE2-CB 3.49Å; W191-P194 HydrophobicContact CG-CG 4.12Å; W191-P194 HydrophobicContact CH2-CB 4.32Å; W191-P194 HydrophobicContact CZ2-CB 3.63Å; W191-P194 HydrophobicContact CZ2-CG 4.42Å; W191-V198 HydrophobicContact CH2-CG2 4.06Å; W191-W201 HydrophobicContact CH2-CZ2 4.15Å; W191-W242 AromaticContact CH2-NE1 3.66Å; W191-W242 AromaticContact CZ2-NE1 3.62Å; W191-F331 AromaticContact CE2-CE1 3.8Å; W191-F331 AromaticContact CE2-CZ 3.84Å; W191-F331 AromaticContact CZ2-CE1 3.87Å; W191-F331 HydrophobicContact CZ2-CE1 3.87Å; W191-F331 HydrophobicContact CZ2-CZ 4.19Å; W191-F331 AromaticContact NE1-CD1 3.73Å; W191-F331 AromaticContact NE1-CE1 3.34Å; W191-F331 VanDerWaalsContact NE1-CE1 3.34Å; W191-F331 AromaticContact NE1-CE2 3.81Å; W191-F331 AromaticContact NE1-CZ 3.39Å; W191-F331 PolarHBondContact NE1-O 3.07Å; W191-F331 VanDerWaalsContact NE1-O 3.09Å; W191-M332 HydrophobicContact CZ2-SD 4Å; W191-I359 HydrophobicContact CZ3-CG1 4.31Å; W191-I359 WeakPolarHBondContact CZ3-O 3.34Å; W191-V360 HydrophobicContact CE3-CG2 3.65Å; W191-V360 HydrophobicContact CZ3-CG2 4.17Å
192	I	98.6	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-72.5	-44.1	-172.6	-60	-57.1	0	0	0	112.6	L187 S190 P194 P334 V335 V336 V339 W368	L187-I192 HydrophobicContact CD1-CD1 4.18Å; L187-I192 HydrophobicContact CD1-CG1 4.35Å; S190-I192 PolarHBondContact O-N 2.76Å; I192-P194 WeakPolarHBondContact O-CD 3.42Å; I192-P334 WeakPolarHBondContact O-CA 3.14Å; I192-V335 HydrophobicContact CD1-CG2 3.93Å; I192-V335 HydrophobicContact CG2-CG2 4.17Å; I192-V335 PolarHBondContact O-N 2.79Å; I192-V336 HydrophobicContact CG2-CB 4.5Å; I192-V336 HydrophobicContact CG2-CG2 3.94Å; I192-V339 HydrophobicContact CG2-CG2 3.93Å; I192-W368 HydrophobicContact CB-CZ2 4.24Å; I192-W368 HydrophobicContact CG1-CZ2 4.24Å; I192-W368 HydrophobicContact CG2-CD2 4.25Å; I192-W368 HydrophobicContact CG2-CE3 4.26Å; I192-W368 HydrophobicContact CG2-CH2 4.37Å; I192-W368 HydrophobicContact CG2-CZ2 4.36Å; I192-W368 HydrophobicContact CG2-CZ3 4.32Å
193	S	98.3	Very high	98.5	Very high	9 Å²	9	9.7 Å²	9.7	6%	0.063	6%	0.056	C	C	.	.	S	Bend	trans	-122.8	82.3	176.4	-164.8	0	0	0	0	110.4	L195 D196 S197	S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact O-N 2.97Å; S193-D196 VanDerWaalsContact CB-OD2 3.25Å; S193-D196 WeakPolarHBondContact CB-OD2 3.29Å; S193-D196 PolarHBondContact O-N 3.35Å; S193-D196 PolarHBondContact OG-OD2 3.46Å; S193-S197 PolarHBondContact O-N 2.9Å
194	P	98.3	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-55	-41.2	-175.3	-29.6	37.6	0	0	0	113.4	W191 I192 S197 V198 M332	W191-P194 HydrophobicContact CD2-CB 4.14Å; W191-P194 HydrophobicContact CD2-CG 4.14Å; W191-P194 VanDerWaalsContact CE2-CB 3.49Å; W191-P194 HydrophobicContact CG-CG 4.12Å; W191-P194 HydrophobicContact CH2-CB 4.32Å; W191-P194 HydrophobicContact CZ2-CB 3.63Å; W191-P194 HydrophobicContact CZ2-CG 4.42Å; I192-P194 WeakPolarHBondContact O-CD 3.42Å; P194-S197 PolarHBondContact O-N 3.28Å; P194-V198 VanDerWaalsContact O-CG2 3.28Å; P194-V198 WeakPolarHBondContact O-CG2 3.46Å; P194-V198 PolarHBondContact O-N 3.4Å; P194-M332 HydrophobicContact CB-CE 3.56Å; P194-M332 HydrophobicContact CB-SD 3.66Å
195	L	98.6	Very high	98.5	Very high	37 Å²	37	9.5 Å²	9.5	19%	0.194	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-40.7	-177.7	179.7	60.8	0	0	0	112.1	S193 S197 V198 M199 K227 V230	S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact O-N 2.97Å; L195-S197 VanDerWaalsContact C-N 3.32Å; L195-S197 PolarHBondContact O-N 3.46Å; L195-V198 PolarHBondContact O-N 3.25Å; L195-M199 HydrophobicContact CD1-CG 3.85Å; L195-M199 HydrophobicContact CD1-SD 4.34Å; L195-M199 HydrophobicContact CG-CG 4.24Å; L195-M199 WeakPolarHBondContact O-CB 3.45Å; L195-M199 VanDerWaalsContact O-CG 3.24Å; L195-M199 WeakPolarHBondContact O-CG 3.46Å; L195-M199 PolarHBondContact O-N 2.95Å; L195-K227 HydrophobicContact CD1-CB 3.78Å; L195-K227 HydrophobicContact CD1-CG 4.26Å; L195-K227 HydrophobicContact CD2-CG 4.25Å; L195-V230 HydrophobicContact CD2-CB 4.28Å; L195-V230 HydrophobicContact CD2-CG1 3.96Å
196	D	98.6	Very high	98.5	Very high	30 Å²	30	13.9 Å²	13.9	16%	0.16	7%	0.069	C	C	.	.	H	α-helix	trans	-60.8	-43.9	179.2	-73.2	-47.8	0	0	0	110.7	S193 M199 T200 L367 W368	S193-D196 VanDerWaalsContact CB-OD2 3.25Å; S193-D196 WeakPolarHBondContact CB-OD2 3.29Å; S193-D196 PolarHBondContact O-N 3.35Å; S193-D196 PolarHBondContact OG-OD2 3.46Å; D196-M199 PolarHBondContact O-N 2.88Å; D196-T200 WeakPolarHBondContact O-CG2 3.29Å; D196-T200 PolarHBondContact O-N 2.69Å; D196-T200 PolarHBondContact O-OG1 3.06Å; D196-L367 HydrophobicContact CB-CB 4.13Å; D196-L367 HydrophobicContact CB-CD1 4.41Å; D196-W368 WeakPolarHBondContact OD2-CB 3.24Å
197	S	98.4	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-48.1	175.9	-73.6	0	0	0	0	112.9	S193 P194 L195 M199 T200 W201 D361	S193-S197 PolarHBondContact O-N 2.9Å; P194-S197 PolarHBondContact O-N 3.28Å; L195-S197 VanDerWaalsContact C-N 3.32Å; L195-S197 PolarHBondContact O-N 3.46Å; S197-M199 VanDerWaalsContact C-N 3.26Å; S197-M199 PolarHBondContact O-N 3.3Å; S197-T200 PolarHBondContact O-N 3.33Å; S197-T200 PolarHBondContact O-OG1 2.93Å; S197-T200 VanDerWaalsContact O-OG1 3.05Å; S197-W201 PolarHBondContact O-N 2.85Å; S197-W201 PolarHBondContact O-NE1 2.77Å; S197-D361 WeakPolarHBondContact CA-OD1 3.37Å; S197-D361 PolarHBondContact OG-OD1 2.83Å
198	V	98.6	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-37.4	-179.6	175.1	0	0	0	0	112	W191 P194 L195 T200 W201 A223 V226 W242 T245 M332	W191-V198 HydrophobicContact CH2-CG2 4.06Å; P194-V198 VanDerWaalsContact O-CG2 3.28Å; P194-V198 WeakPolarHBondContact O-CG2 3.46Å; P194-V198 PolarHBondContact O-N 3.4Å; L195-V198 PolarHBondContact O-N 3.25Å; V198-T200 VanDerWaalsContact C-N 3.26Å; V198-T200 PolarHBondContact O-N 2.99Å; V198-W201 HydrophobicContact CG1-CE3 4.4Å; V198-W201 HydrophobicContact CG2-CH2 4.24Å; V198-W201 HydrophobicContact CG2-CZ2 4.19Å; V198-W201 HydrophobicContact CG2-CZ3 4.37Å; V198-A223 HydrophobicContact CG1-CB 3.92Å; V198-A223 WeakPolarHBondContact O-CB 3.44Å; V198-V226 HydrophobicContact CG1-CB 4.2Å; V198-V226 HydrophobicContact CG1-CG1 4.29Å; V198-V226 HydrophobicContact CG1-CG2 4.17Å; V198-W242 VanDerWaalsContact CG2-CD1 3.43Å; V198-T245 HydrophobicContact CG1-CG2 4.29Å; V198-M332 HydrophobicContact CG2-CE 4.18Å
199	M	98.8	Very high	98.3	Very high	56 Å²	56	26.4 Å²	26.4	28%	0.276	15%	0.15	S	C	.	.	H	α-helix	trans	-71.3	-20.3	177.6	-68.4	-59.2	-60.7	0	0	113.1	L195 D196 S197 A223 K227	L195-M199 HydrophobicContact CD1-CG 3.85Å; L195-M199 HydrophobicContact CD1-SD 4.34Å; L195-M199 HydrophobicContact CG-CG 4.24Å; L195-M199 WeakPolarHBondContact O-CB 3.45Å; L195-M199 VanDerWaalsContact O-CG 3.24Å; L195-M199 WeakPolarHBondContact O-CG 3.46Å; L195-M199 PolarHBondContact O-N 2.95Å; D196-M199 PolarHBondContact O-N 2.88Å; S197-M199 VanDerWaalsContact C-N 3.26Å; S197-M199 PolarHBondContact O-N 3.3Å; M199-A223 HydrophobicContact SD-CB 3.8Å; M199-K227 HydrophobicContact CE-CD 4.1Å; M199-K227 HydrophobicContact SD-CB 4.03Å; M199-K227 HydrophobicContact SD-CD 4.09Å
200	T	98.7	Very high	98.3	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-102.1	-9.4	-178.8	50.8	0	0	0	0	114.8	D196 S197 V198 G202 P203 Y204 D361 M363 G364 L367	D196-T200 WeakPolarHBondContact O-CG2 3.29Å; D196-T200 PolarHBondContact O-N 2.69Å; D196-T200 PolarHBondContact O-OG1 3.06Å; S197-T200 PolarHBondContact O-N 3.33Å; S197-T200 PolarHBondContact O-OG1 2.93Å; S197-T200 VanDerWaalsContact O-OG1 3.05Å; V198-T200 VanDerWaalsContact C-N 3.26Å; V198-T200 PolarHBondContact O-N 2.99Å; T200-G202 VanDerWaalsContact C-N 3.34Å; T200-G202 PolarHBondContact O-N 3.23Å; T200-P203 VanDerWaalsContact O-CD 3.31Å; T200-P203 WeakPolarHBondContact O-CD 3.31Å; T200-Y204 VanDerWaalsContact O-CB 3.28Å; T200-Y204 WeakPolarHBondContact O-CB 3.4Å; T200-Y204 PolarHBondContact O-N 3.37Å; T200-D361 WeakPolarHBondContact CB-OD2 3.46Å; T200-D361 PolarHBondContact OG1-OD1 3.43Å; T200-D361 PolarHBondContact OG1-OD2 2.99Å; T200-M363 HydrophobicContact CG2-CB 3.88Å; T200-G364 VanDerWaalsContact OG1-CA 3.32Å; T200-G364 WeakPolarHBondContact OG1-CA 3.45Å; T200-G364 PolarHBondContact OG1-N 3.07Å; T200-G364 VanDerWaalsContact OG1-N 3.1Å; T200-L367 HydrophobicContact CG2-CD1 3.48Å; T200-L367 VanDerWaalsContact CG2-CD1 3.48Å; T200-L367 HydrophobicContact CG2-CG 4.45Å
201	W	98.8	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-52.1	-47.7	174	-69.3	-11.3	0	0	0	113.4	W191 S197 V198 Y204 L205 V219 W242 T245 E246 V249 F258 L358 I359	W191-W201 HydrophobicContact CH2-CZ2 4.15Å; S197-W201 PolarHBondContact O-N 2.85Å; S197-W201 PolarHBondContact O-NE1 2.77Å; V198-W201 HydrophobicContact CG1-CE3 4.4Å; V198-W201 HydrophobicContact CG2-CH2 4.24Å; V198-W201 HydrophobicContact CG2-CZ2 4.19Å; V198-W201 HydrophobicContact CG2-CZ3 4.37Å; W201-Y204 PolarHBondContact O-N 3.48Å; W201-L205 WeakPolarHBondContact O-CB 3.41Å; W201-L205 WeakPolarHBondContact O-CD1 3.48Å; W201-L205 VanDerWaalsContact O-CG 3.22Å; W201-L205 WeakPolarHBondContact O-CG 3.48Å; W201-L205 PolarHBondContact O-N 3.48Å; W201-V219 HydrophobicContact CB-CG1 4.42Å; W201-W242 AromaticContact CH2-CD1 3.57Å; W201-W242 AromaticContact CH2-CE2 3.74Å; W201-W242 HydrophobicContact CH2-CZ2 4.23Å; W201-W242 AromaticContact CH2-NE1 2.98Å; W201-W242 AromaticContact CZ2-NE1 3.48Å; W201-W242 AromaticContact CZ3-NE1 3.92Å; W201-T245 HydrophobicContact CE3-CG2 3.84Å; W201-T245 HydrophobicContact CZ3-CG2 3.91Å; W201-E246 HydrophobicContact CH2-CG 3.81Å; W201-E246 HydrophobicContact CZ3-CG 3.95Å; W201-V249 HydrophobicContact CE3-CG2 4.3Å; W201-F258 HydrophobicContact CD2-CE1 4.22Å; W201-F258 HydrophobicContact CE3-CE1 4.09Å; W201-F258 HydrophobicContact CH2-CD1 4.24Å; W201-F258 AromaticContact CH2-CE1 3.51Å; W201-F258 HydrophobicContact CH2-CE1 3.51Å; W201-F258 HydrophobicContact CH2-CZ 4.36Å; W201-F258 HydrophobicContact CZ2-CD1 4.2Å; W201-F258 AromaticContact CZ2-CE1 3.77Å; W201-F258 HydrophobicContact CZ2-CE1 3.77Å; W201-F258 AromaticContact CZ3-CE1 3.74Å; W201-F258 HydrophobicContact CZ3-CE1 3.74Å; W201-F258 HydrophobicContact CZ3-CZ 4.24Å; W201-L358 HydrophobicContact CB-CD1 4.27Å; W201-L358 HydrophobicContact CG-CD1 4.18Å; W201-L358 PolarHBondContact NE1-O 3.44Å; W201-I359 HydrophobicContact CZ2-CG1 4.49Å; W201-I359 PolarHBondContact NE1-O 3.46Å; W201-I359 VanDerWaalsContact NE1-O 3.13Å
202	G	98.6	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-59.4	177.1	0	0	0	0	0	112.4	T200 Y204 L205 Y206 L216	T200-G202 VanDerWaalsContact C-N 3.34Å; T200-G202 PolarHBondContact O-N 3.23Å; G202-Y204 VanDerWaalsContact C-N 3.32Å; G202-Y204 PolarHBondContact O-N 3.07Å; G202-L205 PolarHBondContact O-N 3.39Å; G202-Y206 WeakPolarHBondContact O-CB 3.37Å; G202-Y206 PolarHBondContact O-N 2.88Å; G202-L216 WeakPolarHBondContact O-CD1 3.41Å
203	P	98.5	Very high	98.3	Very high	39 Å²	39	38.7 Å²	38.7	25%	0.253	22%	0.215	S	C	.	.	H	α-helix	trans	-52.9	-43.5	175.3	-29.7	34.8	0	0	0	114.5	T200 Y206 T207 M363	T200-P203 VanDerWaalsContact O-CD 3.31Å; T200-P203 WeakPolarHBondContact O-CD 3.31Å; P203-Y206 PolarHBondContact O-N 2.99Å; P203-T207 WeakPolarHBondContact O-CG2 3.33Å; P203-T207 PolarHBondContact O-N 3.41Å; P203-T207 PolarHBondContact O-OG1 3.35Å; P203-M363 HydrophobicContact CB-CE 3.95Å; P203-M363 HydrophobicContact CB-SD 4.21Å
204	Y	98.4	Very high	98.3	Very high	15 Å²	15	43.5 Å²	43.5	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-48.1	-179.2	179	-121.5	0	0	0	111.6	T200 W201 G202 Y206 T207 T208 I261 Q355 L356 D357 L358 D361	T200-Y204 VanDerWaalsContact O-CB 3.28Å; T200-Y204 WeakPolarHBondContact O-CB 3.4Å; T200-Y204 PolarHBondContact O-N 3.37Å; W201-Y204 PolarHBondContact O-N 3.48Å; G202-Y204 VanDerWaalsContact C-N 3.32Å; G202-Y204 PolarHBondContact O-N 3.07Å; Y204-Y206 VanDerWaalsContact C-N 3.34Å; Y204-Y206 PolarHBondContact O-N 3.24Å; Y204-T207 PolarHBondContact O-N 3.27Å; Y204-T207 PolarHBondContact O-OG1 3.1Å; Y204-T208 HydrophobicContact CD2-CG2 4.44Å; Y204-T208 HydrophobicContact CE2-CG2 4.15Å; Y204-T208 WeakPolarHBondContact O-CG2 3.36Å; Y204-T208 PolarHBondContact O-N 3.2Å; Y204-T208 VanDerWaalsContact O-N 3.15Å; Y204-T208 PolarHBondContact O-OG1 3.36Å; Y204-I261 HydrophobicContact CE1-CD1 4.13Å; Y204-I261 HydrophobicContact CE1-CG2 3.78Å; Y204-I261 WeakPolarHBondContact OH-CD1 3.49Å; Y204-Q355 PolarHBondContact OH-O 2.66Å; Y204-L356 WeakPolarHBondContact OH-CA 3.48Å; Y204-D357 WeakPolarHBondContact CE1-O 3.4Å; Y204-L358 HydrophobicContact CD1-CD1 3.83Å; Y204-L358 HydrophobicContact CE1-CD1 4.35Å; Y204-D361 HydrophobicContact CD1-CB 3.86Å; Y204-D361 HydrophobicContact CE1-CB 4.27Å; Y204-D361 HydrophobicContact CG-CB 4.18Å
205	L	98.6	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-34.4	177.1	-68.1	169.8	0	0	0	112.9	W201 G202 T208 S209 L210 L211 V249 T253 V256 I261 L358	W201-L205 WeakPolarHBondContact O-CB 3.41Å; W201-L205 WeakPolarHBondContact O-CD1 3.48Å; W201-L205 VanDerWaalsContact O-CG 3.22Å; W201-L205 WeakPolarHBondContact O-CG 3.48Å; W201-L205 PolarHBondContact O-N 3.48Å; G202-L205 PolarHBondContact O-N 3.39Å; L205-T208 VanDerWaalsContact CA-OG1 3.3Å; L205-T208 WeakPolarHBondContact CA-OG1 3.47Å; L205-T208 PolarHBondContact O-N 2.99Å; L205-T208 PolarHBondContact O-OG1 2.66Å; L205-T208 VanDerWaalsContact O-OG1 3.1Å; L205-S209 PolarHBondContact O-N 2.81Å; L205-L210 HydrophobicContact CB-CB 4.24Å; L205-L210 HydrophobicContact CD2-CB 4.01Å; L205-L210 HydrophobicContact CD2-CD1 3.52Å; L205-L210 HydrophobicContact CD2-CG 4.42Å; L205-L210 PolarHBondContact O-N 3.12Å; L205-L211 HydrophobicContact CB-CD1 3.55Å; L205-L211 HydrophobicContact CB-CG 3.69Å; L205-L211 HydrophobicContact CD1-CD1 4.07Å; L205-L211 HydrophobicContact CD1-CG 4.46Å; L205-L211 HydrophobicContact CG-CD1 4.49Å; L205-L211 PolarHBondContact O-N 3.44Å; L205-V249 HydrophobicContact CD1-CG1 3.6Å; L205-V249 HydrophobicContact CD1-CG2 4.29Å; L205-T253 HydrophobicContact CD1-CG2 4.09Å; L205-V256 HydrophobicContact CD2-CG1 4.46Å; L205-I261 HydrophobicContact CD2-CG2 4.22Å; L205-L358 HydrophobicContact CD1-CD1 3.95Å; L205-L358 HydrophobicContact CD1-CD2 4.16Å; L205-L358 HydrophobicContact CD2-CD1 3.83Å; L205-L358 HydrophobicContact CD2-CD2 3.96Å; L205-L358 HydrophobicContact CG-CD1 3.71Å; L205-L358 HydrophobicContact CG-CD2 4.41Å
206	Y	98.6	Very high	98.3	Very high	95 Å²	95	43.4 Å²	43.4	37%	0.373	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-48.6	175	-178	-98	0	0	0	111.8	G202 P203 Y204 T208 S209 N213 L216	G202-Y206 WeakPolarHBondContact O-CB 3.37Å; G202-Y206 PolarHBondContact O-N 2.88Å; P203-Y206 PolarHBondContact O-N 2.99Å; Y204-Y206 VanDerWaalsContact C-N 3.34Å; Y204-Y206 PolarHBondContact O-N 3.24Å; Y206-T208 PolarHBondContact O-N 2.94Å; Y206-S209 PolarHBondContact O-N 2.94Å; Y206-N213 VanDerWaalsContact CE2-OD1 3.31Å; Y206-N213 WeakPolarHBondContact CE2-OD1 3.44Å; Y206-N213 PolarHBondContact OH-OD1 3.22Å; Y206-L216 HydrophobicContact CD1-CD2 4.33Å; Y206-L216 HydrophobicContact CD2-CB 3.98Å; Y206-L216 HydrophobicContact CD2-CD2 3.8Å; Y206-L216 HydrophobicContact CD2-CG 4.42Å; Y206-L216 HydrophobicContact CE2-CD2 4.14Å; Y206-L216 HydrophobicContact CG-CD2 3.88Å
207	T	97.4	Very high	98.3	Very high	99 Å²	99	44.6 Å²	44.6	61%	0.607	25%	0.254	S	S	*	.	H	α-helix	trans	-68.2	-20.4	-179.8	58.5	0	0	0	0	113.4	P203 Y204	P203-T207 WeakPolarHBondContact O-CG2 3.33Å; P203-T207 PolarHBondContact O-N 3.41Å; P203-T207 PolarHBondContact O-OG1 3.35Å; Y204-T207 PolarHBondContact O-N 3.27Å; Y204-T207 PolarHBondContact O-OG1 3.1Å
208	T	96.8	Very high	98.4	Very high	51 Å²	51	48.5 Å²	48.5	31%	0.313	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	9.4	174	54.4	0	0	0	0	113.3	Y204 L205 Y206 L210 I261	Y204-T208 HydrophobicContact CD2-CG2 4.44Å; Y204-T208 HydrophobicContact CE2-CG2 4.15Å; Y204-T208 WeakPolarHBondContact O-CG2 3.36Å; Y204-T208 PolarHBondContact O-N 3.2Å; Y204-T208 VanDerWaalsContact O-N 3.15Å; Y204-T208 PolarHBondContact O-OG1 3.36Å; L205-T208 VanDerWaalsContact CA-OG1 3.3Å; L205-T208 WeakPolarHBondContact CA-OG1 3.47Å; L205-T208 PolarHBondContact O-N 2.99Å; L205-T208 PolarHBondContact O-OG1 2.66Å; L205-T208 VanDerWaalsContact O-OG1 3.1Å; Y206-T208 PolarHBondContact O-N 2.94Å; T208-L210 VanDerWaalsContact C-N 3.26Å; T208-L210 PolarHBondContact O-N 3.29Å; T208-I261 HydrophobicContact CG2-CD1 3.71Å
209	S	97.4	Very high	98.4	Very high	112 Å²	112	48.5 Å²	48.5	78%	0.783	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	19.3	177.3	-49.9	0	0	0	0	115.5	L205 Y206	L205-S209 PolarHBondContact O-N 2.81Å; Y206-S209 PolarHBondContact O-N 2.94Å
210	L	97.6	Very high	98.4	Very high	50 Å²	50	48.8 Å²	48.8	26%	0.262	28%	0.277	S	S	.	.	S	Bend	trans	-87.2	-16.4	174.8	-73	168.4	0	0	0	113	L205 T208 T253 V256 I261	L205-L210 HydrophobicContact CB-CB 4.24Å; L205-L210 HydrophobicContact CD2-CB 4.01Å; L205-L210 HydrophobicContact CD2-CD1 3.52Å; L205-L210 HydrophobicContact CD2-CG 4.42Å; L205-L210 PolarHBondContact O-N 3.12Å; T208-L210 VanDerWaalsContact C-N 3.26Å; T208-L210 PolarHBondContact O-N 3.29Å; L210-T253 HydrophobicContact CB-CG2 4.21Å; L210-V256 HydrophobicContact CD1-CG2 3.93Å; L210-I261 HydrophobicContact CD1-CB 3.9Å; L210-I261 HydrophobicContact CD1-CG2 4.39Å
211	L	98.5	Very high	98.4	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.058	30%	0.299	C	S	.	.			trans	-124.2	145.2	174.3	-63.5	175.7	0	0	0	111.2	L205 V219 N252 T253	L205-L211 HydrophobicContact CB-CD1 3.55Å; L205-L211 HydrophobicContact CB-CG 3.69Å; L205-L211 HydrophobicContact CD1-CD1 4.07Å; L205-L211 HydrophobicContact CD1-CG 4.46Å; L205-L211 HydrophobicContact CG-CD1 4.49Å; L205-L211 PolarHBondContact O-N 3.44Å; L211-V219 HydrophobicContact CD1-CB 4.39Å; L211-V219 HydrophobicContact CD1-CG2 3.99Å; L211-V219 HydrophobicContact CD2-CG2 4.48Å; L211-N252 HydrophobicContact CD2-CB 3.51Å; L211-T253 HydrophobicContact CD2-CG2 3.61Å; L211-T253 HydrophobicContact CG-CG2 4.23Å
212	D	98.3	Very high	98.4	Very high	90 Å²	90	52.3 Å²	52.3	48%	0.481	30%	0.303	S	S	.	.			trans	-89.2	-172.3	161.4	77.6	-7.2	0	0	0	110.7	N214 G215 L216	D212-N214 VanDerWaalsContact C-N 3.27Å; D212-N214 PolarHBondContact O-N 2.99Å; D212-N214 WeakPolarHBondContact OD1-CA 3.39Å; D212-N214 WeakPolarHBondContact OD1-CB 3.49Å; D212-N214 PolarHBondContact OD1-N 2.94Å; D212-N214 PolarHBondContact OD2-ND2 2.92Å; D212-G215 PolarHBondContact OD1-N 3.28Å; D212-L216 WeakPolarHBondContact O-CB 3.44Å; D212-L216 PolarHBondContact O-N 2.85Å
213	N	98.6	Very high	98.4	Very high	109 Å²	109	52.4 Å²	52.4	58%	0.583	30%	0.304	S	S	*	.	H	α-helix	trans	-64.5	-30.5	178.9	-68.1	-26.9	0	0	0	113.2	Y206 A217	Y206-N213 VanDerWaalsContact CE2-OD1 3.31Å; Y206-N213 WeakPolarHBondContact CE2-OD1 3.44Å; Y206-N213 PolarHBondContact OH-OD1 3.22Å; N213-A217 WeakPolarHBondContact O-CB 3.39Å; N213-A217 PolarHBondContact O-N 3.38Å
214	N	98.6	Very high	98.4	Very high	111 Å²	111	53.5 Å²	53.5	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-74.6	-48.6	179.5	-57.9	-53.3	0	0	0	109.6	D212 L216 A217 D218	D212-N214 VanDerWaalsContact C-N 3.27Å; D212-N214 PolarHBondContact O-N 2.99Å; D212-N214 WeakPolarHBondContact OD1-CA 3.39Å; D212-N214 WeakPolarHBondContact OD1-CB 3.49Å; D212-N214 PolarHBondContact OD1-N 2.94Å; D212-N214 PolarHBondContact OD2-ND2 2.92Å; N214-L216 VanDerWaalsContact C-N 3.29Å; N214-L216 PolarHBondContact O-N 3.25Å; N214-A217 WeakPolarHBondContact O-CB 3.35Å; N214-A217 PolarHBondContact O-N 3.11Å; N214-D218 PolarHBondContact O-N 3.18Å
215	G	98.5	Very high	98.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-37.3	177.1	0	0	0	0	0	112.7	D212 D218 V219 N252	D212-G215 PolarHBondContact OD1-N 3.28Å; G215-D218 PolarHBondContact O-N 3.45Å; G215-V219 WeakPolarHBondContact O-CB 3.49Å; G215-V219 VanDerWaalsContact O-CG2 3.29Å; G215-V219 WeakPolarHBondContact O-CG2 3.16Å; G215-V219 PolarHBondContact O-N 3.47Å; G215-N252 VanDerWaalsContact CA-OD1 3.26Å; G215-N252 WeakPolarHBondContact CA-OD1 3.29Å
216	L	98.8	Very high	98.4	Very high	34 Å²	34	56.2 Å²	56.2	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-45.5	171.4	175.9	61.4	0	0	0	111.9	G202 Y206 D212 N214 N220	G202-L216 WeakPolarHBondContact O-CD1 3.41Å; Y206-L216 HydrophobicContact CD1-CD2 4.33Å; Y206-L216 HydrophobicContact CD2-CB 3.98Å; Y206-L216 HydrophobicContact CD2-CD2 3.8Å; Y206-L216 HydrophobicContact CD2-CG 4.42Å; Y206-L216 HydrophobicContact CE2-CD2 4.14Å; Y206-L216 HydrophobicContact CG-CD2 3.88Å; D212-L216 WeakPolarHBondContact O-CB 3.44Å; D212-L216 PolarHBondContact O-N 2.85Å; N214-L216 VanDerWaalsContact C-N 3.29Å; N214-L216 PolarHBondContact O-N 3.25Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.37Å; L216-N220 VanDerWaalsContact O-CB 3.3Å; L216-N220 WeakPolarHBondContact O-CB 3.47Å; L216-N220 PolarHBondContact O-N 2.91Å; L216-N220 PolarHBondContact O-ND2 3.07Å
217	A	98.8	Very high	98.4	Very high	56 Å²	56	54.2 Å²	54.2	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-42.6	179.4	0	0	0	0	0	111.8	N213 N214 N220 S221	N213-A217 WeakPolarHBondContact O-CB 3.39Å; N213-A217 PolarHBondContact O-N 3.38Å; N214-A217 WeakPolarHBondContact O-CB 3.35Å; N214-A217 PolarHBondContact O-N 3.11Å; A217-N220 PolarHBondContact O-N 3.5Å; A217-S221 WeakPolarHBondContact O-CB 3.04Å; A217-S221 PolarHBondContact O-N 3.22Å
218	D	98.8	Very high	98.5	Very high	82 Å²	82	53.5 Å²	53.5	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-49.1	179.1	-71.9	-10.7	0	0	0	111.7	N214 G215 N220 S221 A222 V248	N214-D218 PolarHBondContact O-N 3.18Å; G215-D218 PolarHBondContact O-N 3.45Å; D218-N220 PolarHBondContact O-N 3.17Å; D218-S221 PolarHBondContact O-N 2.94Å; D218-A222 PolarHBondContact O-N 2.85Å; D218-V248 HydrophobicContact CB-CG1 3.94Å
219	V	98.8	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.5	173.3	0	0	0	0	110.9	W201 L211 G215 S221 A222 A223 V248 V249	W201-V219 HydrophobicContact CB-CG1 4.42Å; L211-V219 HydrophobicContact CD1-CB 4.39Å; L211-V219 HydrophobicContact CD1-CG2 3.99Å; L211-V219 HydrophobicContact CD2-CG2 4.48Å; G215-V219 WeakPolarHBondContact O-CB 3.49Å; G215-V219 VanDerWaalsContact O-CG2 3.29Å; G215-V219 WeakPolarHBondContact O-CG2 3.16Å; G215-V219 PolarHBondContact O-N 3.47Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 3.23Å; V219-A222 PolarHBondContact O-N 3.43Å; V219-A223 WeakPolarHBondContact O-CB 3.32Å; V219-A223 PolarHBondContact O-N 3.18Å; V219-V248 HydrophobicContact CG2-CG1 4.1Å; V219-V249 HydrophobicContact CB-CG2 4.45Å; V219-V249 HydrophobicContact CG1-CG2 3.81Å; V219-V249 HydrophobicContact CG2-CB 4.49Å; V219-V249 HydrophobicContact CG2-CG2 3.73Å
220	N	98.8	Very high	98.6	Very high	61 Å²	61	46.9 Å²	46.9	33%	0.326	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-39.2	178.2	-73	-10.3	0	0	0	112.3	L216 A217 D218 A222 A223 E224	L216-N220 WeakPolarHBondContact CD1-ND2 3.37Å; L216-N220 VanDerWaalsContact O-CB 3.3Å; L216-N220 WeakPolarHBondContact O-CB 3.47Å; L216-N220 PolarHBondContact O-N 2.91Å; L216-N220 PolarHBondContact O-ND2 3.07Å; A217-N220 PolarHBondContact O-N 3.5Å; D218-N220 PolarHBondContact O-N 3.17Å; N220-A222 VanDerWaalsContact C-N 3.33Å; N220-A222 PolarHBondContact O-N 3.5Å; N220-A223 PolarHBondContact O-N 3.21Å; N220-E224 PolarHBondContact O-N 3.3Å
221	S	98.8	Very high	98.7	Very high	74 Å²	74	50.1 Å²	50.1	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-37.7	176.4	-173	0	0	0	0	111.9	A217 D218 V219 N225	A217-S221 WeakPolarHBondContact O-CB 3.04Å; A217-S221 PolarHBondContact O-N 3.22Å; D218-S221 PolarHBondContact O-N 2.94Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 3.23Å; S221-N225 PolarHBondContact O-ND2 2.94Å
222	A	98.8	Very high	98.7	Very high	10 Å²	10	55.2 Å²	55.2	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-43.1	175.4	0	0	0	0	0	111.6	D218 V219 N220 E224 N225 V226 T245 V248	D218-A222 PolarHBondContact O-N 2.85Å; V219-A222 PolarHBondContact O-N 3.43Å; N220-A222 VanDerWaalsContact C-N 3.33Å; N220-A222 PolarHBondContact O-N 3.5Å; A222-E224 VanDerWaalsContact C-N 3.32Å; A222-E224 PolarHBondContact O-N 2.92Å; A222-N225 WeakPolarHBondContact O-CB 3.45Å; A222-N225 PolarHBondContact O-N 3.46Å; A222-N225 VanDerWaalsContact O-N 3.17Å; A222-V226 PolarHBondContact O-N 3.38Å; A222-T245 HydrophobicContact CB-CG2 4Å; A222-T245 PolarHBondContact O-OG1 3.21Å; A222-V248 HydrophobicContact CB-CB 4.33Å; A222-V248 HydrophobicContact CB-CG1 4.42Å; A222-V248 HydrophobicContact CB-CG2 4.13Å
223	A	98.8	Very high	98.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-38.5	175	0	0	0	0	0	112.8	V198 M199 V219 N220 N225 V226 K227	V198-A223 HydrophobicContact CG1-CB 3.92Å; V198-A223 WeakPolarHBondContact O-CB 3.44Å; M199-A223 HydrophobicContact SD-CB 3.8Å; V219-A223 WeakPolarHBondContact O-CB 3.32Å; V219-A223 PolarHBondContact O-N 3.18Å; N220-A223 PolarHBondContact O-N 3.21Å; A223-N225 VanDerWaalsContact C-N 3.28Å; A223-N225 PolarHBondContact O-N 3.25Å; A223-V226 WeakPolarHBondContact O-CA 3.32Å; A223-V226 WeakPolarHBondContact O-CB 3.43Å; A223-V226 PolarHBondContact O-N 3.18Å; A223-K227 PolarHBondContact O-N 2.85Å
224	E	98.8	Very high	98.6	Very high	63 Å²	63	57.2 Å²	57.2	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-32.3	177.4	-170.8	61.1	-145.3	0	0	112.5	N220 A222 V226 K227 Q228	N220-E224 PolarHBondContact O-N 3.3Å; A222-E224 VanDerWaalsContact C-N 3.32Å; A222-E224 PolarHBondContact O-N 2.92Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.39Å; E224-K227 WeakPolarHBondContact O-CB 3.15Å; E224-K227 PolarHBondContact O-N 3.21Å; E224-K227 IonicContact OE1-NZ 2.68Å; E224-K227 PolarHBondContact OE1-NZ 2.66Å; E224-K227 IonicContact OE2-NZ 3.07Å; E224-Q228 WeakPolarHBondContact O-CG 3.18Å; E224-Q228 PolarHBondContact O-N 2.85Å
225	N	98.8	Very high	98.6	Very high	72 Å²	72	53 Å²	53	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-39.6	173.9	-64.3	-42.5	0	0	0	111.4	S221 A222 A223 Q228 A229 L241	S221-N225 PolarHBondContact O-ND2 2.94Å; A222-N225 WeakPolarHBondContact O-CB 3.45Å; A222-N225 PolarHBondContact O-N 3.46Å; A222-N225 VanDerWaalsContact O-N 3.17Å; A223-N225 VanDerWaalsContact C-N 3.28Å; A223-N225 PolarHBondContact O-N 3.25Å; N225-Q228 PolarHBondContact O-N 2.79Å; N225-A229 PolarHBondContact O-N 2.96Å; N225-A229 VanDerWaalsContact O-N 3.15Å; N225-L241 HydrophobicContact CB-CD1 4.26Å; N225-L241 HydrophobicContact CB-CD2 4.35Å; N225-L241 WeakPolarHBondContact O-CD1 3.29Å
226	V	98.8	Very high	98.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-46.6	174.2	-178.4	0	0	0	0	109.9	V198 A222 A223 E224 Q228 A229 V230 A238 L241 M332	V198-V226 HydrophobicContact CG1-CB 4.2Å; V198-V226 HydrophobicContact CG1-CG1 4.29Å; V198-V226 HydrophobicContact CG1-CG2 4.17Å; A222-V226 PolarHBondContact O-N 3.38Å; A223-V226 WeakPolarHBondContact O-CA 3.32Å; A223-V226 WeakPolarHBondContact O-CB 3.43Å; A223-V226 PolarHBondContact O-N 3.18Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.39Å; V226-Q228 PolarHBondContact O-N 3.38Å; V226-A229 PolarHBondContact O-N 3.44Å; V226-V230 HydrophobicContact CG1-CG2 4.43Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 2.98Å; V226-A238 HydrophobicContact CG1-CB 4.37Å; V226-L241 HydrophobicContact CG2-CB 3.77Å; V226-M332 HydrophobicContact CG1-CE 3.55Å
227	K	98.8	Very high	98.5	Very high	52 Å²	52	59.6 Å²	59.6	23%	0.226	31%	0.307	C	S	.	.	H	α-helix	trans	-54.9	-49.8	176.3	-179.9	170.1	159	-64.4	0	112.2	L195 M199 A223 E224 A229 V230 E231	L195-K227 HydrophobicContact CD1-CB 3.78Å; L195-K227 HydrophobicContact CD1-CG 4.26Å; L195-K227 HydrophobicContact CD2-CG 4.25Å; M199-K227 HydrophobicContact CE-CD 4.1Å; M199-K227 HydrophobicContact SD-CB 4.03Å; M199-K227 HydrophobicContact SD-CD 4.09Å; A223-K227 PolarHBondContact O-N 2.85Å; E224-K227 WeakPolarHBondContact O-CB 3.15Å; E224-K227 PolarHBondContact O-N 3.21Å; E224-K227 IonicContact OE1-NZ 2.68Å; E224-K227 PolarHBondContact OE1-NZ 2.66Å; E224-K227 IonicContact OE2-NZ 3.07Å; K227-A229 VanDerWaalsContact C-N 3.32Å; K227-A229 PolarHBondContact O-N 2.93Å; K227-V230 PolarHBondContact O-N 3.16Å; K227-E231 WeakPolarHBondContact CE-OE1 3.27Å; K227-E231 HydrophobicContact CG-CG 4.34Å; K227-E231 IonicContact NZ-OE1 3.94Å; K227-E231 PolarHBondContact NZ-OE1 3.41Å; K227-E231 IonicContact NZ-OE2 2.77Å; K227-E231 WeakPolarHBondContact O-CB 3.42Å; K227-E231 WeakPolarHBondContact O-CG 3.35Å; K227-E231 PolarHBondContact O-N 3.39Å
228	Q	98.8	Very high	98.5	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-42	178.3	-71.4	173.3	22.3	0	0	112.3	E224 N225 V226 E231 Q232	E224-Q228 WeakPolarHBondContact O-CG 3.18Å; E224-Q228 PolarHBondContact O-N 2.85Å; N225-Q228 PolarHBondContact O-N 2.79Å; V226-Q228 PolarHBondContact O-N 3.38Å; Q228-E231 PolarHBondContact O-N 3.38Å; Q228-Q232 WeakPolarHBondContact O-CB 3.43Å; Q228-Q232 VanDerWaalsContact O-CG 3.24Å; Q228-Q232 WeakPolarHBondContact O-CG 3.39Å; Q228-Q232 PolarHBondContact O-N 2.81Å; Q228-Q232 VanDerWaalsContact O-N 3.08Å
229	A	98.7	Very high	98.4	Very high	5 Å²	5	53 Å²	53	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-40.2	176.9	0	0	0	0	0	112.3	N225 V226 K227 Q232 Q233 Q234 K237 A238 L241	N225-A229 PolarHBondContact O-N 2.96Å; N225-A229 VanDerWaalsContact O-N 3.15Å; V226-A229 PolarHBondContact O-N 3.44Å; K227-A229 VanDerWaalsContact C-N 3.32Å; K227-A229 PolarHBondContact O-N 2.93Å; A229-Q232 CarbonylContact O-C 3.57Å; A229-Q232 PolarHBondContact O-N 3.43Å; A229-Q233 PolarHBondContact O-N 3.16Å; A229-Q234 HydrophobicContact CB-CB 4.47Å; A229-Q234 PolarHBondContact O-N 3.35Å; A229-K237 HydrophobicContact CB-CB 4.5Å; A229-K237 HydrophobicContact CB-CG 4.35Å; A229-A238 HydrophobicContact CB-CB 3.89Å; A229-L241 HydrophobicContact CB-CD1 3.8Å
230	V	98.6	Very high	98.2	Very high	18 Å²	18	55.4 Å²	55.4	11%	0.109	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-46	175.2	171.5	0	0	0	0	111.3	L195 V226 K227 Q232 Q233 F235 A238 M332	L195-V230 HydrophobicContact CD2-CB 4.28Å; L195-V230 HydrophobicContact CD2-CG1 3.96Å; V226-V230 HydrophobicContact CG1-CG2 4.43Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 2.98Å; K227-V230 PolarHBondContact O-N 3.16Å; V230-Q232 PolarHBondContact O-N 3.06Å; V230-Q233 WeakPolarHBondContact O-CA 3.47Å; V230-Q233 PolarHBondContact O-N 3.42Å; V230-F235 HydrophobicContact CG1-CE1 4.15Å; V230-A238 HydrophobicContact CG2-CB 3.63Å; V230-M332 HydrophobicContact CG2-CB 4.46Å; V230-M332 HydrophobicContact CG2-CE 4.44Å
231	E	98.2	Very high	98.1	Very high	119 Å²	119	54 Å²	54	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-61	-32.3	177.9	-73.6	174.1	171.6	0	0	112.1	K227 Q228 Q233	K227-E231 WeakPolarHBondContact CE-OE1 3.27Å; K227-E231 HydrophobicContact CG-CG 4.34Å; K227-E231 IonicContact NZ-OE1 3.94Å; K227-E231 PolarHBondContact NZ-OE1 3.41Å; K227-E231 IonicContact NZ-OE2 2.77Å; K227-E231 WeakPolarHBondContact O-CB 3.42Å; K227-E231 WeakPolarHBondContact O-CG 3.35Å; K227-E231 PolarHBondContact O-N 3.39Å; Q228-E231 PolarHBondContact O-N 3.38Å; E231-Q233 VanDerWaalsContact C-N 3.27Å; E231-Q233 PolarHBondContact O-N 3.46Å
232	Q	98.4	Very high	98	Very high	117 Å²	117	50.6 Å²	50.6	55%	0.547	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.8	173.8	-66	172.5	33.7	0	0	113.6	Q228 A229 V230 Q234	Q228-Q232 WeakPolarHBondContact O-CB 3.43Å; Q228-Q232 VanDerWaalsContact O-CG 3.24Å; Q228-Q232 WeakPolarHBondContact O-CG 3.39Å; Q228-Q232 PolarHBondContact O-N 2.81Å; Q228-Q232 VanDerWaalsContact O-N 3.08Å; A229-Q232 CarbonylContact O-C 3.57Å; A229-Q232 PolarHBondContact O-N 3.43Å; V230-Q232 PolarHBondContact O-N 3.06Å; Q232-Q234 HydrophobicContact CB-CG 4.05Å; Q232-Q234 PolarHBondContact O-N 3.08Å; Q232-Q234 VanDerWaalsContact OE1-NE2 3.1Å
233	Q	97.9	Very high	97.8	Very high	147 Å²	147	50.1 Å²	50.1	69%	0.687	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	22.7	-176.9	-54.9	-173.9	2.2	0	0	114.5	A229 V230 E231 F235	A229-Q233 PolarHBondContact O-N 3.16Å; V230-Q233 WeakPolarHBondContact O-CA 3.47Å; V230-Q233 PolarHBondContact O-N 3.42Å; E231-Q233 VanDerWaalsContact C-N 3.27Å; E231-Q233 PolarHBondContact O-N 3.46Å; Q233-F235 VanDerWaalsContact C-N 3.26Å; Q233-F235 HydrophobicContact CB-CD2 4.4Å; Q233-F235 HydrophobicContact CB-CE2 3.77Å; Q233-F235 HydrophobicContact CB-CZ 4.37Å; Q233-F235 HydrophobicContact CG-CE2 4.28Å; Q233-F235 HydrophobicContact CG-CZ 4.5Å; Q233-F235 WeakPolarHBondContact O-CD2 3.43Å; Q233-F235 PolarHBondContact O-N 3.45Å; Q233-F235 VanDerWaalsContact O-N 3.09Å
234	Q	98.4	Very high	97.6	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	26%	0.255	S	S	.	.			trans	-86.8	62.6	177	-61.4	175.6	1.2	0	0	110	A229 Q232 L236 K237 A238	A229-Q234 HydrophobicContact CB-CB 4.47Å; A229-Q234 PolarHBondContact O-N 3.35Å; Q232-Q234 HydrophobicContact CB-CG 4.05Å; Q232-Q234 PolarHBondContact O-N 3.08Å; Q232-Q234 VanDerWaalsContact OE1-NE2 3.1Å; Q234-L236 PolarHBondContact O-N 2.85Å; Q234-K237 HydrophobicContact CB-CB 3.9Å; Q234-K237 CarbonylContact O-C 3.53Å; Q234-K237 WeakPolarHBondContact O-CA 3.35Å; Q234-K237 WeakPolarHBondContact O-CB 3.23Å; Q234-K237 PolarHBondContact O-N 3.32Å; Q234-A238 PolarHBondContact O-N 2.93Å
235	F	98.3	Very high	97.5	Very high	22 Å²	22	49.7 Å²	49.7	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-36.7	-168.1	-64.2	-75.5	0	0	0	114.9	V230 Q233 K237 A238 T239 G329 R333	V230-F235 HydrophobicContact CG1-CE1 4.15Å; Q233-F235 VanDerWaalsContact C-N 3.26Å; Q233-F235 HydrophobicContact CB-CD2 4.4Å; Q233-F235 HydrophobicContact CB-CE2 3.77Å; Q233-F235 HydrophobicContact CB-CZ 4.37Å; Q233-F235 HydrophobicContact CG-CE2 4.28Å; Q233-F235 HydrophobicContact CG-CZ 4.5Å; Q233-F235 WeakPolarHBondContact O-CD2 3.43Å; Q233-F235 PolarHBondContact O-N 3.45Å; Q233-F235 VanDerWaalsContact O-N 3.09Å; F235-K237 VanDerWaalsContact C-N 3.29Å; F235-K237 PolarHBondContact O-N 3.13Å; F235-A238 WeakPolarHBondContact O-CB 3.29Å; F235-A238 PolarHBondContact O-N 3.21Å; F235-T239 PolarHBondContact O-N 3.49Å; F235-T239 PolarHBondContact O-OG1 3.2Å; F235-G329 VanDerWaalsContact CB-O 3.29Å; F235-G329 WeakPolarHBondContact CB-O 3.43Å; F235-R333 HydrophobicContact CB-CG 3.95Å; F235-R333 HydrophobicContact CD1-CB 4.22Å; F235-R333 HydrophobicContact CD1-CG 3.44Å; F235-R333 VanDerWaalsContact CD1-CG 3.44Å; F235-R333 HydrophobicContact CD2-CG 3.74Å; F235-R333 HydrophobicContact CE1-CB 4.28Å; F235-R333 HydrophobicContact CE1-CG 3.75Å; F235-R333 HydrophobicContact CE2-CG 4.01Å; F235-R333 HydrophobicContact CG-CG 3.41Å; F235-R333 VanDerWaalsContact CG-CG 3.41Å; F235-R333 HydrophobicContact CZ-CG 4.01Å
236	L	97.1	Very high	97.3	Very high	89 Å²	89	46.3 Å²	46.3	47%	0.466	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-41.7	172.4	180	62.1	0	0	0	110.8	Q234 T239 E240 I279 A328	Q234-L236 PolarHBondContact O-N 2.85Å; L236-T239 WeakPolarHBondContact O-CB 3.17Å; L236-T239 PolarHBondContact O-N 3.08Å; L236-E240 PolarHBondContact O-N 2.92Å; L236-I279 HydrophobicContact CD1-CD1 4.28Å; L236-A328 HydrophobicContact CD1-CB 3.64Å
237	K	97.2	Very high	97	Very high	83 Å²	83	48.3 Å²	48.3	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-39.2	176.8	-176.1	57.1	-176.7	175.7	0	111.9	A229 Q234 F235 T239 E240 L241	A229-K237 HydrophobicContact CB-CB 4.5Å; A229-K237 HydrophobicContact CB-CG 4.35Å; Q234-K237 HydrophobicContact CB-CB 3.9Å; Q234-K237 CarbonylContact O-C 3.53Å; Q234-K237 WeakPolarHBondContact O-CA 3.35Å; Q234-K237 WeakPolarHBondContact O-CB 3.23Å; Q234-K237 PolarHBondContact O-N 3.32Å; F235-K237 VanDerWaalsContact C-N 3.29Å; F235-K237 PolarHBondContact O-N 3.13Å; K237-T239 VanDerWaalsContact C-N 3.28Å; K237-T239 PolarHBondContact O-N 3.19Å; K237-E240 WeakPolarHBondContact CD-OE2 3.45Å; K237-E240 IonicContact NZ-OE2 2.82Å; K237-E240 PolarHBondContact NZ-OE2 3.33Å; K237-E240 WeakPolarHBondContact O-CB 3.28Å; K237-E240 PolarHBondContact O-N 2.85Å; K237-L241 HydrophobicContact CD-CG 4.45Å; K237-L241 HydrophobicContact CG-CD1 4.06Å; K237-L241 HydrophobicContact CG-CG 4.47Å; K237-L241 WeakPolarHBondContact O-CG 3.39Å; K237-L241 PolarHBondContact O-N 2.68Å
238	A	98.5	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-40.8	174	0	0	0	0	0	111.1	V226 A229 V230 Q234 F235 L241 W242 M332	V226-A238 HydrophobicContact CG1-CB 4.37Å; A229-A238 HydrophobicContact CB-CB 3.89Å; V230-A238 HydrophobicContact CG2-CB 3.63Å; Q234-A238 PolarHBondContact O-N 2.93Å; F235-A238 WeakPolarHBondContact O-CB 3.29Å; F235-A238 PolarHBondContact O-N 3.21Å; A238-L241 PolarHBondContact O-N 2.98Å; A238-W242 WeakPolarHBondContact O-CB 3.28Å; A238-W242 PolarHBondContact O-N 3Å; A238-M332 HydrophobicContact CB-CB 3.76Å; A238-M332 HydrophobicContact CB-CG 3.92Å
239	T	97.4	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-39.7	174.8	-54.9	0	0	0	0	111.9	F235 L236 K237 W242 S243 I279 Q282 A328 F331 M332	F235-T239 PolarHBondContact O-N 3.49Å; F235-T239 PolarHBondContact O-OG1 3.2Å; L236-T239 WeakPolarHBondContact O-CB 3.17Å; L236-T239 PolarHBondContact O-N 3.08Å; K237-T239 VanDerWaalsContact C-N 3.28Å; K237-T239 PolarHBondContact O-N 3.19Å; T239-W242 WeakPolarHBondContact O-CB 3.42Å; T239-W242 PolarHBondContact O-N 3.1Å; T239-S243 PolarHBondContact O-N 2.73Å; T239-I279 HydrophobicContact CG2-CD1 3.84Å; T239-Q282 PolarHBondContact O-NE2 3.14Å; T239-A328 WeakPolarHBondContact CB-O 3.43Å; T239-A328 HydrophobicContact CG2-CB 4.28Å; T239-A328 PolarHBondContact OG1-O 2.94Å; T239-F331 HydrophobicContact CG2-CB 4.02Å; T239-F331 HydrophobicContact CG2-CD1 3.94Å; T239-F331 HydrophobicContact CG2-CG 4.25Å; T239-M332 WeakPolarHBondContact OG1-CG 3.21Å
240	E	95.4	Very high	96.5	Very high	50 Å²	50	44.8 Å²	44.8	23%	0.234	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-45.9	172.8	-64.5	174.5	175.6	0	0	112	L236 K237 W242 S243 V244 F278 I279	L236-E240 PolarHBondContact O-N 2.92Å; K237-E240 WeakPolarHBondContact CD-OE2 3.45Å; K237-E240 IonicContact NZ-OE2 2.82Å; K237-E240 PolarHBondContact NZ-OE2 3.33Å; K237-E240 WeakPolarHBondContact O-CB 3.28Å; K237-E240 PolarHBondContact O-N 2.85Å; E240-W242 VanDerWaalsContact C-N 3.28Å; E240-W242 PolarHBondContact O-N 2.88Å; E240-S243 WeakPolarHBondContact O-CB 3.35Å; E240-S243 PolarHBondContact O-N 2.95Å; E240-V244 PolarHBondContact O-N 2.84Å; E240-F278 HydrophobicContact CB-CB 4.12Å; E240-F278 HydrophobicContact CB-CD2 4.23Å; E240-F278 HydrophobicContact CB-CG 4.31Å; E240-F278 HydrophobicContact CG-CB 4.18Å; E240-F278 HydrophobicContact CG-CD2 4.38Å; E240-I279 HydrophobicContact CG-CD1 4.29Å
241	L	96.8	Very high	96.3	Very high	33 Å²	33	50.9 Å²	50.9	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-31.1	-179.8	-70	169.4	0	0	0	112.1	N225 V226 A229 K237 A238 S243 V244 T245	N225-L241 HydrophobicContact CB-CD1 4.26Å; N225-L241 HydrophobicContact CB-CD2 4.35Å; N225-L241 WeakPolarHBondContact O-CD1 3.29Å; V226-L241 HydrophobicContact CG2-CB 3.77Å; A229-L241 HydrophobicContact CB-CD1 3.8Å; K237-L241 HydrophobicContact CD-CG 4.45Å; K237-L241 HydrophobicContact CG-CD1 4.06Å; K237-L241 HydrophobicContact CG-CG 4.47Å; K237-L241 WeakPolarHBondContact O-CG 3.39Å; K237-L241 PolarHBondContact O-N 2.68Å; A238-L241 PolarHBondContact O-N 2.98Å; L241-S243 VanDerWaalsContact C-N 3.34Å; L241-S243 PolarHBondContact O-N 2.81Å; L241-V244 WeakPolarHBondContact O-CB 3.37Å; L241-V244 PolarHBondContact O-N 2.98Å; L241-V244 VanDerWaalsContact O-N 3.16Å; L241-T245 PolarHBondContact O-N 3.28Å; L241-T245 PolarHBondContact O-OG1 3.45Å; L241-T245 VanDerWaalsContact O-OG1 3.13Å
242	W	96.6	Very high	96.2	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-46.3	172.3	173	77.4	0	0	0	111.6	W191 V198 W201 A238 T239 E240 V244 T245 E246 Q282 H286 F331 M332 I359	W191-W242 AromaticContact CH2-NE1 3.66Å; W191-W242 AromaticContact CZ2-NE1 3.62Å; V198-W242 VanDerWaalsContact CG2-CD1 3.43Å; W201-W242 AromaticContact CH2-CD1 3.57Å; W201-W242 AromaticContact CH2-CE2 3.74Å; W201-W242 HydrophobicContact CH2-CZ2 4.23Å; W201-W242 AromaticContact CH2-NE1 2.98Å; W201-W242 AromaticContact CZ2-NE1 3.48Å; W201-W242 AromaticContact CZ3-NE1 3.92Å; A238-W242 WeakPolarHBondContact O-CB 3.28Å; A238-W242 PolarHBondContact O-N 3Å; T239-W242 WeakPolarHBondContact O-CB 3.42Å; T239-W242 PolarHBondContact O-N 3.1Å; E240-W242 VanDerWaalsContact C-N 3.28Å; E240-W242 PolarHBondContact O-N 2.88Å; W242-V244 VanDerWaalsContact C-N 3.29Å; W242-V244 PolarHBondContact O-N 3.09Å; W242-T245 WeakPolarHBondContact O-CA 3.2Å; W242-T245 WeakPolarHBondContact O-CB 3.47Å; W242-T245 PolarHBondContact O-N 2.85Å; W242-E246 HydrophobicContact CD2-CG 4.43Å; W242-E246 WeakPolarHBondContact CH2-OE1 3.35Å; W242-E246 HydrophobicContact CZ2-CG 4.21Å; W242-E246 WeakPolarHBondContact CZ2-OE1 3.42Å; W242-E246 WeakPolarHBondContact O-CG 3.24Å; W242-E246 PolarHBondContact O-N 2.98Å; W242-Q282 HydrophobicContact CE3-CG 3.97Å; W242-Q282 HydrophobicContact CZ3-CB 4.21Å; W242-Q282 HydrophobicContact CZ3-CG 3.67Å; W242-H286 AromaticContact CH2-CD2 3.54Å; W242-H286 AromaticContact CH2-CE1 3.81Å; W242-H286 AromaticContact CH2-NE2 3.21Å; W242-H286 WeakPolarHBondContact CH2-NE2 3.41Å; W242-H286 AromaticContact CZ3-CD2 3.92Å; W242-H286 AromaticContact CZ3-NE2 3.79Å; W242-F331 AromaticContact CD2-CE1 3.85Å; W242-F331 HydrophobicContact CD2-CE1 3.85Å; W242-F331 AromaticContact CE2-CE1 3.92Å; W242-F331 AromaticContact CE3-CE1 3.84Å; W242-F331 HydrophobicContact CE3-CE1 3.84Å; W242-F331 HydrophobicContact CH2-CE1 4.01Å; W242-F331 AromaticContact CH2-CZ 3.92Å; W242-F331 HydrophobicContact CH2-CZ 3.92Å; W242-F331 HydrophobicContact CZ2-CE1 4.04Å; W242-F331 HydrophobicContact CZ2-CZ 4.08Å; W242-F331 AromaticContact CZ3-CE1 3.91Å; W242-F331 HydrophobicContact CZ3-CE1 3.91Å; W242-F331 HydrophobicContact CZ3-CZ 4.15Å; W242-M332 HydrophobicContact CB-SD 4.16Å; W242-M332 HydrophobicContact CG-SD 4.13Å; W242-I359 HydrophobicContact CH2-CD1 4.44Å; W242-I359 HydrophobicContact CZ2-CD1 3.98Å; W242-I359 HydrophobicContact CZ2-CG1 4.42Å
243	S	93.3	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-33	175.3	-178.8	0	0	0	0	113.7	T239 E240 L241 T247 Q282	T239-S243 PolarHBondContact O-N 2.73Å; E240-S243 WeakPolarHBondContact O-CB 3.35Å; E240-S243 PolarHBondContact O-N 2.95Å; L241-S243 VanDerWaalsContact C-N 3.34Å; L241-S243 PolarHBondContact O-N 2.81Å; S243-T247 PolarHBondContact O-N 3.2Å; S243-T247 VanDerWaalsContact O-N 3.17Å; S243-T247 PolarHBondContact O-OG1 3.3Å; S243-Q282 VanDerWaalsContact CB-NE2 3.25Å
244	V	94.2	Very high	95.8	Very high	55 Å²	55	41.9 Å²	41.9	33%	0.333	21%	0.213	S	C	.	.	H	α-helix	trans	-64.4	-46.8	171.2	177.7	0	0	0	0	109.9	E240 L241 W242 E246 T247 V248 F278	E240-V244 PolarHBondContact O-N 2.84Å; L241-V244 WeakPolarHBondContact O-CB 3.37Å; L241-V244 PolarHBondContact O-N 2.98Å; L241-V244 VanDerWaalsContact O-N 3.16Å; W242-V244 VanDerWaalsContact C-N 3.29Å; W242-V244 PolarHBondContact O-N 3.09Å; V244-E246 VanDerWaalsContact C-N 3.32Å; V244-E246 PolarHBondContact O-N 3.24Å; V244-T247 WeakPolarHBondContact O-CB 3.23Å; V244-T247 PolarHBondContact O-N 2.85Å; V244-T247 VanDerWaalsContact O-N 3.11Å; V244-V248 WeakPolarHBondContact O-CG2 3.42Å; V244-V248 PolarHBondContact O-N 3.02Å; V244-F278 HydrophobicContact CG2-CD1 4.1Å; V244-F278 HydrophobicContact CG2-CE1 3.67Å; V244-F278 HydrophobicContact CG2-CZ 4.26Å
245	T	97.1	Very high	95.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-41.5	176.9	-56.6	0	0	0	0	112	V198 W201 A222 L241 W242 T247 V248 V249	V198-T245 HydrophobicContact CG1-CG2 4.29Å; W201-T245 HydrophobicContact CE3-CG2 3.84Å; W201-T245 HydrophobicContact CZ3-CG2 3.91Å; A222-T245 HydrophobicContact CB-CG2 4Å; A222-T245 PolarHBondContact O-OG1 3.21Å; L241-T245 PolarHBondContact O-N 3.28Å; L241-T245 PolarHBondContact O-OG1 3.45Å; L241-T245 VanDerWaalsContact O-OG1 3.13Å; W242-T245 WeakPolarHBondContact O-CA 3.2Å; W242-T245 WeakPolarHBondContact O-CB 3.47Å; W242-T245 PolarHBondContact O-N 2.85Å; T245-T247 VanDerWaalsContact C-N 3.3Å; T245-T247 PolarHBondContact O-N 2.89Å; T245-V248 WeakPolarHBondContact O-CB 3.5Å; T245-V248 PolarHBondContact O-N 3.09Å; T245-V248 VanDerWaalsContact O-N 3.16Å; T245-V249 WeakPolarHBondContact O-CG2 3.43Å; T245-V249 PolarHBondContact O-N 2.67Å
246	E	94.8	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-42.2	174.7	-67.1	-172.5	111.1	0	0	112.5	W201 W242 V244 V248 V249 E250 F258 R285 H286	W201-E246 HydrophobicContact CH2-CG 3.81Å; W201-E246 HydrophobicContact CZ3-CG 3.95Å; W242-E246 HydrophobicContact CD2-CG 4.43Å; W242-E246 WeakPolarHBondContact CH2-OE1 3.35Å; W242-E246 HydrophobicContact CZ2-CG 4.21Å; W242-E246 WeakPolarHBondContact CZ2-OE1 3.42Å; W242-E246 WeakPolarHBondContact O-CG 3.24Å; W242-E246 PolarHBondContact O-N 2.98Å; V244-E246 VanDerWaalsContact C-N 3.32Å; V244-E246 PolarHBondContact O-N 3.24Å; E246-V248 VanDerWaalsContact C-N 3.3Å; E246-V248 PolarHBondContact O-N 2.78Å; E246-V249 WeakPolarHBondContact O-CB 2.69Å; E246-V249 PolarHBondContact O-N 2.99Å; E246-E250 WeakPolarHBondContact O-CG 3.29Å; E246-E250 PolarHBondContact O-N 3Å; E246-F258 HydrophobicContact CB-CE2 4.12Å; E246-F258 HydrophobicContact CB-CZ 3.85Å; E246-F258 HydrophobicContact CG-CE1 4Å; E246-F258 HydrophobicContact CG-CE2 4.37Å; E246-F258 HydrophobicContact CG-CZ 3.83Å; E246-R285 IonicContact OE2-CZ 3.66Å; E246-R285 IonicContact OE2-NH1 3.2Å; E246-R285 PolarHBondContact OE2-NH1 2.91Å; E246-H286 IonicContact OE1-CE1 3.7Å; E246-H286 PolarHBondContact OE1-CE1 3.44Å; E246-H286 IonicContact OE1-NE2 2.75Å; E246-H286 PolarHBondContact OE1-NE2 2.83Å; E246-H286 IonicContact OE2-NE2 3.48Å; E246-H286 PolarHBondContact OE2-NE2 3.31Å
247	T	92.4	Very high	95.1	Very high	42 Å²	42	34.4 Å²	34.4	26%	0.258	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-38.5	177.3	-55.4	0	0	0	0	111.3	S243 V244 T245 E250 Q251	S243-T247 PolarHBondContact O-N 3.2Å; S243-T247 VanDerWaalsContact O-N 3.17Å; S243-T247 PolarHBondContact O-OG1 3.3Å; V244-T247 WeakPolarHBondContact O-CB 3.23Å; V244-T247 PolarHBondContact O-N 2.85Å; V244-T247 VanDerWaalsContact O-N 3.11Å; T245-T247 VanDerWaalsContact C-N 3.3Å; T245-T247 PolarHBondContact O-N 2.89Å; T247-E250 PolarHBondContact O-N 3.25Å; T247-Q251 WeakPolarHBondContact O-CB 3.36Å; T247-Q251 VanDerWaalsContact O-CG 3.23Å; T247-Q251 WeakPolarHBondContact O-CG 3.44Å; T247-Q251 PolarHBondContact O-N 3.48Å
248	V	96.4	Very high	95	Very high	28 Å²	28	30.5 Å²	30.5	17%	0.17	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-41.3	174.7	174.1	0	0	0	0	111.2	D218 V219 A222 V244 T245 E246 N252	D218-V248 HydrophobicContact CB-CG1 3.94Å; V219-V248 HydrophobicContact CG2-CG1 4.1Å; A222-V248 HydrophobicContact CB-CB 4.33Å; A222-V248 HydrophobicContact CB-CG1 4.42Å; A222-V248 HydrophobicContact CB-CG2 4.13Å; V244-V248 WeakPolarHBondContact O-CG2 3.42Å; V244-V248 PolarHBondContact O-N 3.02Å; T245-V248 WeakPolarHBondContact O-CB 3.5Å; T245-V248 PolarHBondContact O-N 3.09Å; T245-V248 VanDerWaalsContact O-N 3.16Å; E246-V248 VanDerWaalsContact C-N 3.3Å; E246-V248 PolarHBondContact O-N 2.78Å; V248-N252 PolarHBondContact O-N 3.4Å; V248-N252 VanDerWaalsContact O-N 3.16Å; V248-N252 PolarHBondContact O-ND2 2.55Å
249	V	97.1	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-51.3	174.7	166.9	0	0	0	0	110.7	W201 L205 V219 T245 E246 Q251 N252 T253 V256 F258 L358	W201-V249 HydrophobicContact CE3-CG2 4.3Å; L205-V249 HydrophobicContact CD1-CG1 3.6Å; L205-V249 HydrophobicContact CD1-CG2 4.29Å; V219-V249 HydrophobicContact CB-CG2 4.45Å; V219-V249 HydrophobicContact CG1-CG2 3.81Å; V219-V249 HydrophobicContact CG2-CB 4.49Å; V219-V249 HydrophobicContact CG2-CG2 3.73Å; T245-V249 WeakPolarHBondContact O-CG2 3.43Å; T245-V249 PolarHBondContact O-N 2.67Å; E246-V249 WeakPolarHBondContact O-CB 2.69Å; E246-V249 PolarHBondContact O-N 2.99Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-Q251 PolarHBondContact O-N 2.89Å; V249-N252 PolarHBondContact O-N 3.43Å; V249-T253 HydrophobicContact CG1-CG2 4.26Å; V249-T253 WeakPolarHBondContact O-CB 3.42Å; V249-T253 VanDerWaalsContact O-CG2 3.28Å; V249-T253 WeakPolarHBondContact O-CG2 3.25Å; V249-T253 PolarHBondContact O-N 3.2Å; V249-T253 PolarHBondContact O-OG1 3.24Å; V249-V256 HydrophobicContact CG1-CG1 3.71Å; V249-F258 HydrophobicContact CB-CE2 4.19Å; V249-F258 HydrophobicContact CB-CZ 3.73Å; V249-F258 HydrophobicContact CG1-CE2 3.83Å; V249-F258 HydrophobicContact CG1-CZ 3.57Å; V249-F258 HydrophobicContact CG2-CZ 4.16Å; V249-L358 HydrophobicContact CG1-CD2 4.12Å
250	E	93.4	Very high	94.9	Very high	40 Å²	40	32.8 Å²	32.8	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-43.8	-179.7	-73.3	174.6	174.8	0	0	111.7	E246 T247 N252 T253 N254 G255 F258 R285	E246-E250 WeakPolarHBondContact O-CG 3.29Å; E246-E250 PolarHBondContact O-N 3Å; T247-E250 PolarHBondContact O-N 3.25Å; E250-N252 VanDerWaalsContact C-N 3.33Å; E250-N252 PolarHBondContact O-N 3.46Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-T253 PolarHBondContact O-OG1 3.23Å; E250-N254 PolarHBondContact O-N 2.88Å; E250-G255 PolarHBondContact O-N 2.9Å; E250-F258 HydrophobicContact CG-CE2 4.12Å; E250-R285 IonicContact OE1-CZ 3.07Å; E250-R285 IonicContact OE1-NE 3.77Å; E250-R285 PolarHBondContact OE1-NE 3.05Å; E250-R285 IonicContact OE1-NH2 3.75Å; E250-R285 PolarHBondContact OE1-NH2 3.14Å; E250-R285 IonicContact OE2-CZ 3.34Å; E250-R285 IonicContact OE2-NE 2.89Å; E250-R285 IonicContact OE2-NH2 2.73Å; E250-R285 PolarHBondContact OE2-NH2 2.95Å
251	Q	93.4	Very high	95	Very high	146 Å²	146	31 Å²	31	68%	0.682	17%	0.167	S	C	*	.	H	α-helix	trans	-62.3	-38.6	179	-74.8	172.9	0.8	0	0	112.8	T247 V249	T247-Q251 WeakPolarHBondContact O-CB 3.36Å; T247-Q251 VanDerWaalsContact O-CG 3.23Å; T247-Q251 WeakPolarHBondContact O-CG 3.44Å; T247-Q251 PolarHBondContact O-N 3.48Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-Q251 PolarHBondContact O-N 2.89Å
252	N	97	Very high	95	Very high	50 Å²	50	35.7 Å²	35.7	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-84.2	-15.9	-177.8	-79.5	-76.9	0	0	0	114.1	L211 G215 V248 V249 E250	L211-N252 HydrophobicContact CD2-CB 3.51Å; G215-N252 VanDerWaalsContact CA-OD1 3.26Å; G215-N252 WeakPolarHBondContact CA-OD1 3.29Å; V248-N252 PolarHBondContact O-N 3.4Å; V248-N252 VanDerWaalsContact O-N 3.16Å; V248-N252 PolarHBondContact O-ND2 2.55Å; V249-N252 PolarHBondContact O-N 3.43Å; E250-N252 VanDerWaalsContact C-N 3.33Å; E250-N252 PolarHBondContact O-N 3.46Å
253	T	95.4	Very high	94.8	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	21%	0.209	C	C	.	.	H	α-helix	trans	-112.7	4.9	-174.7	58.3	0	0	0	0	113.8	L205 L210 L211 V249 E250 G255 V256	L205-T253 HydrophobicContact CD1-CG2 4.09Å; L210-T253 HydrophobicContact CB-CG2 4.21Å; L211-T253 HydrophobicContact CD2-CG2 3.61Å; L211-T253 HydrophobicContact CG-CG2 4.23Å; V249-T253 HydrophobicContact CG1-CG2 4.26Å; V249-T253 WeakPolarHBondContact O-CB 3.42Å; V249-T253 VanDerWaalsContact O-CG2 3.28Å; V249-T253 WeakPolarHBondContact O-CG2 3.25Å; V249-T253 PolarHBondContact O-N 3.2Å; V249-T253 PolarHBondContact O-OG1 3.24Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-T253 PolarHBondContact O-OG1 3.23Å; T253-G255 VanDerWaalsContact C-N 3.29Å; T253-G255 PolarHBondContact O-N 3.08Å; T253-V256 HydrophobicContact CG2-CB 4.35Å; T253-V256 HydrophobicContact CG2-CG1 4Å; T253-V256 WeakPolarHBondContact OG1-CB 3.5Å; T253-V256 WeakPolarHBondContact OG1-CG1 3.41Å; T253-V256 PolarHBondContact OG1-N 3.49Å
254	N	91.4	Very high	94.5	Very high	136 Å²	136	42.8 Å²	42.8	73%	0.727	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	39.9	-171	-174.2	65.9	0	0	0	112.7	E250 Q264	E250-N254 PolarHBondContact O-N 2.88Å; N254-Q264 VanDerWaalsContact O-CD 3.24Å; N254-Q264 PolarHBondContact O-NE2 3.48Å; N254-Q264 PolarHBondContact O-OE1 2.92Å
255	G	91.4	Very high	93.5	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	22%	0.222	C	C	.	.	S	Bend	trans	86.6	35.1	170.4	0	0	0	0	0	115.6	E250 T253 N257 Q264 Q265	E250-G255 PolarHBondContact O-N 2.9Å; T253-G255 VanDerWaalsContact C-N 3.29Å; T253-G255 PolarHBondContact O-N 3.08Å; G255-N257 PolarHBondContact O-N 2.87Å; G255-Q264 PolarHBondContact O-OE1 3.46Å; G255-Q265 PolarHBondContact O-N 3.17Å
256	V	94.8	Very high	91.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-48.9	138.7	-178.5	69.9	0	0	0	0	111.4	L205 L210 V249 T253 F258 I261 Q264 L358	L205-V256 HydrophobicContact CD2-CG1 4.46Å; L210-V256 HydrophobicContact CD1-CG2 3.93Å; V249-V256 HydrophobicContact CG1-CG1 3.71Å; T253-V256 HydrophobicContact CG2-CB 4.35Å; T253-V256 HydrophobicContact CG2-CG1 4Å; T253-V256 WeakPolarHBondContact OG1-CB 3.5Å; T253-V256 WeakPolarHBondContact OG1-CG1 3.41Å; T253-V256 PolarHBondContact OG1-N 3.49Å; V256-F258 PolarHBondContact O-N 3.48Å; V256-I261 HydrophobicContact CG2-CB 4.27Å; V256-I261 HydrophobicContact CG2-CG2 4.33Å; V256-Q264 VanDerWaalsContact CA-OE1 3.27Å; V256-L358 HydrophobicContact CG1-CD2 3.66Å
257	N	93.5	Very high	89.2	Confident	27 Å²	27	53.2 Å²	53.2	14%	0.144	29%	0.286	C	S	.	.			trans	-73.1	118.7	172.6	-176.6	1.2	0	0	0	110.5	G255 Y259 N260 T263	G255-N257 PolarHBondContact O-N 2.87Å; N257-Y259 PolarHBondContact O-N 3.28Å; N257-Y259 VanDerWaalsContact O-N 3.11Å; N257-Y259 PolarHBondContact OD1-N 2.82Å; N257-N260 CarbonylContact O-C 3.54Å; N257-N260 VanDerWaalsContact O-C 3.3Å; N257-N260 PolarHBondContact O-N 3.02Å; N257-N260 VanDerWaalsContact O-N 3.12Å; N257-T263 VanDerWaalsContact CB-O 3.28Å; N257-T263 WeakPolarHBondContact CB-O 3.13Å; N257-T263 WeakPolarHBondContact CB-OG1 3.33Å; N257-T263 PolarHBondContact N-O 3Å; N257-T263 PolarHBondContact ND2-OG1 3.35Å
258	F	95.6	Very high	87.1	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.2	176.4	-90.9	-94.8	0	0	0	114.1	W201 E246 V249 E250 V256 L358 I359	W201-F258 HydrophobicContact CD2-CE1 4.22Å; W201-F258 HydrophobicContact CE3-CE1 4.09Å; W201-F258 HydrophobicContact CH2-CD1 4.24Å; W201-F258 AromaticContact CH2-CE1 3.51Å; W201-F258 HydrophobicContact CH2-CE1 3.51Å; W201-F258 HydrophobicContact CH2-CZ 4.36Å; W201-F258 HydrophobicContact CZ2-CD1 4.2Å; W201-F258 AromaticContact CZ2-CE1 3.77Å; W201-F258 HydrophobicContact CZ2-CE1 3.77Å; W201-F258 AromaticContact CZ3-CE1 3.74Å; W201-F258 HydrophobicContact CZ3-CE1 3.74Å; W201-F258 HydrophobicContact CZ3-CZ 4.24Å; E246-F258 HydrophobicContact CB-CE2 4.12Å; E246-F258 HydrophobicContact CB-CZ 3.85Å; E246-F258 HydrophobicContact CG-CE1 4Å; E246-F258 HydrophobicContact CG-CE2 4.37Å; E246-F258 HydrophobicContact CG-CZ 3.83Å; V249-F258 HydrophobicContact CB-CE2 4.19Å; V249-F258 HydrophobicContact CB-CZ 3.73Å; V249-F258 HydrophobicContact CG1-CE2 3.83Å; V249-F258 HydrophobicContact CG1-CZ 3.57Å; V249-F258 HydrophobicContact CG2-CZ 4.16Å; E250-F258 HydrophobicContact CG-CE2 4.12Å; V256-F258 PolarHBondContact O-N 3.48Å; F258-L358 HydrophobicContact CD1-CD2 3.9Å; F258-L358 HydrophobicContact CD1-CG 3.99Å; F258-L358 HydrophobicContact CD2-CD2 4.37Å; F258-L358 HydrophobicContact CE1-CD2 3.92Å; F258-L358 HydrophobicContact CE1-CG 4.13Å; F258-L358 HydrophobicContact CE2-CD2 4.4Å; F258-L358 HydrophobicContact CG-CD2 4.13Å; F258-L358 HydrophobicContact CZ-CD2 4.17Å; F258-L358 WeakPolarHBondContact O-CB 3.29Å; F258-L358 PolarHBondContact O-N 3.08Å; F258-I359 HydrophobicContact CB-CB 4.33Å; F258-I359 HydrophobicContact CD1-CB 4.21Å; F258-I359 PolarHBondContact O-N 3.33Å
259	Y	96.3	Very high	84.8	Confident	28 Å²	28	65.4 Å²	65.4	11%	0.11	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.5	-179.9	-58.7	-66.5	0	0	0	113.7	N257 H286 I359 G416 H417 M418	N257-Y259 PolarHBondContact O-N 3.28Å; N257-Y259 VanDerWaalsContact O-N 3.11Å; N257-Y259 PolarHBondContact OD1-N 2.82Å; Y259-H286 AromaticContact CZ-ND1 3.68Å; Y259-H286 WeakPolarHBondContact OH-CB 3.35Å; Y259-H286 PolarHBondContact OH-ND1 2.78Å; Y259-I359 HydrophobicContact CD1-CG2 3.82Å; Y259-I359 HydrophobicContact CE1-CD1 4.32Å; Y259-I359 HydrophobicContact CE1-CG2 3.96Å; Y259-G416 CarbonylContact O-C 3.1Å; Y259-G416 VanDerWaalsContact O-CA 3.26Å; Y259-G416 WeakPolarHBondContact O-CA 3.35Å; Y259-H417 HydrophobicContact CD1-CB 3.65Å; Y259-H417 AromaticContact CD1-CD2 3.4Å; Y259-H417 VanDerWaalsContact CD1-CD2 3.4Å; Y259-H417 WeakPolarHBondContact CD1-CD2 3.44Å; Y259-H417 AromaticContact CD1-CG 3.57Å; Y259-H417 AromaticContact CE1-CD2 3.64Å; Y259-H417 AromaticContact CE1-NE2 3.97Å; Y259-H417 HydrophobicContact CG-CB 4.26Å; Y259-H417 PolarHBondContact O-N 2.71Å; Y259-M418 HydrophobicContact CD1-CE 4.43Å; Y259-M418 HydrophobicContact CD1-SD 4.42Å; Y259-M418 HydrophobicContact CG-CE 4.27Å; Y259-M418 HydrophobicContact CG-SD 4.33Å
260	N	96.9	Very high	82.8	Confident	21 Å²	21	67.8 Å²	67.8	11%	0.112	35%	0.35	C	S	.	.			trans	-164.2	108	174.6	-169.7	-44	0	0	0	110.4	N257 L262 T263 L356 D422	N257-N260 CarbonylContact O-C 3.54Å; N257-N260 VanDerWaalsContact O-C 3.3Å; N257-N260 PolarHBondContact O-N 3.02Å; N257-N260 VanDerWaalsContact O-N 3.12Å; N260-L262 PolarHBondContact O-N 2.92Å; N260-L262 PolarHBondContact OD1-N 3.4Å; N260-L262 VanDerWaalsContact OD1-N 3.12Å; N260-T263 PolarHBondContact O-N 2.89Å; N260-T263 PolarHBondContact O-OG1 2.97Å; N260-L356 WeakPolarHBondContact CA-O 3.37Å; N260-D422 PolarHBondContact ND2-OD2 3.35Å; N260-D422 VanDerWaalsContact ND2-OD2 3.07Å
261	I	97.1	Very high	80.6	Confident	12 Å²	12	71.7 Å²	71.7	6%	0.062	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.5	-173.6	60.9	162.1	0	0	0	115.3	Y204 L205 T208 L210 V256 L356 L358	Y204-I261 HydrophobicContact CE1-CD1 4.13Å; Y204-I261 HydrophobicContact CE1-CG2 3.78Å; Y204-I261 WeakPolarHBondContact OH-CD1 3.49Å; L205-I261 HydrophobicContact CD2-CG2 4.22Å; T208-I261 HydrophobicContact CG2-CD1 3.71Å; L210-I261 HydrophobicContact CD1-CB 3.9Å; L210-I261 HydrophobicContact CD1-CG2 4.39Å; V256-I261 HydrophobicContact CG2-CB 4.27Å; V256-I261 HydrophobicContact CG2-CG2 4.33Å; I261-L356 HydrophobicContact CD1-CD2 4.19Å; I261-L356 HydrophobicContact CG1-CB 4.14Å; I261-L356 HydrophobicContact CG1-CD2 4.04Å; I261-L356 PolarHBondContact N-O 2.88Å; I261-L358 HydrophobicContact CG2-CB 3.68Å; I261-L358 HydrophobicContact CG2-CG 4.48Å
262	L	96.1	Very high	78.6	Confident	131 Å²	131	69.1 Å²	69.1	69%	0.686	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.3	176.6	-57.7	-173.5	0	0	0	113	N260 L356	N260-L262 PolarHBondContact O-N 2.92Å; N260-L262 PolarHBondContact OD1-N 3.4Å; N260-L262 VanDerWaalsContact OD1-N 3.12Å; L262-L356 HydrophobicContact CD1-CD1 3.47Å; L262-L356 VanDerWaalsContact CD1-CD1 3.47Å; L262-L356 HydrophobicContact CD1-CD2 4.17Å; L262-L356 HydrophobicContact CD1-CG 4.45Å; L262-L356 HydrophobicContact CG-CD1 3.88Å; L262-L356 HydrophobicContact CG-CD2 4.11Å
263	T	93.1	Very high	76.6	Confident	61 Å²	61	69.3 Å²	69.3	37%	0.374	38%	0.38	S	S	.	.	S	Bend	trans	-125.6	161.6	-178.9	65.7	0	0	0	0	110.6	N257 N260	N257-T263 VanDerWaalsContact CB-O 3.28Å; N257-T263 WeakPolarHBondContact CB-O 3.13Å; N257-T263 WeakPolarHBondContact CB-OG1 3.33Å; N257-T263 PolarHBondContact N-O 3Å; N257-T263 PolarHBondContact ND2-OG1 3.35Å; N260-T263 PolarHBondContact O-N 2.89Å; N260-T263 PolarHBondContact O-OG1 2.97Å
264	Q	87.3	Confident	74.4	Confident	89 Å²	89	76.2 Å²	76.2	42%	0.416	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-99.9	150.2	172.4	-62.3	-69.5	11.5	0	0	109.1	N254 G255 V256	N254-Q264 VanDerWaalsContact O-CD 3.24Å; N254-Q264 PolarHBondContact O-NE2 3.48Å; N254-Q264 PolarHBondContact O-OE1 2.92Å; G255-Q264 PolarHBondContact O-OE1 3.46Å; V256-Q264 VanDerWaalsContact CA-OE1 3.27Å
265	Q	73.1	Confident	72.7	Confident	41 Å²	41	73.8 Å²	73.8	19%	0.192	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-51.4	131.8	163.9	-77.9	-86.6	2	0	0	107.6	G255 D267	G255-Q265 PolarHBondContact O-N 3.17Å; Q265-D267 PolarHBondContact O-N 3.01Å
266	P	57.3	Low	71.6	Confident	78 Å²	78	76.4 Å²	76.4	51%	0.506	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-54.5	144.7	175	21.2	-29.4	0	0	0	109.6	E268	P266-E268 CarbonylContact O-C 3.55Å; P266-E268 PolarHBondContact O-N 3.19Å
267	D	43.3	Very low	70.9	Confident	156 Å²	156	80.8 Å²	80.8	83%	0.834	46%	0.459	S	S	*	.	S	Bend	trans	-58	9.7	-177.2	-97	-31.1	0	0	0	115.5	Q265 K269	Q265-D267 PolarHBondContact O-N 3.01Å; D267-K269 PolarHBondContact O-N 2.85Å
268	E	48.4	Very low	70.4	Confident	164 Å²	164	84 Å²	84	77%	0.766	47%	0.473	S	S	*	.			trans	-63	70.4	153.4	-71.6	-176.7	-171.4	0	0	107.9	P266 V270	P266-E268 CarbonylContact O-C 3.55Å; P266-E268 PolarHBondContact O-N 3.19Å; E268-V270 PolarHBondContact O-N 2.85Å
269	K	49.8	Very low	69.8	Low	162 Å²	162	84.9 Å²	84.9	70%	0.704	48%	0.477	S	S	*	.			trans	-44.4	113.8	163	-71.3	-176.8	179.3	-178.1	0	104.6	D267 T271	D267-K269 PolarHBondContact O-N 2.85Å; K269-T271 PolarHBondContact O-N 3.42Å
270	V	53.3	Low	69.2	Low	51 Å²	51	85.1 Å²	85.1	31%	0.309	48%	0.483	S	S	.	.			trans	-59.1	95.2	174	-176.2	0	0	0	0	104.6	E268 T272 L281 H284	E268-V270 PolarHBondContact O-N 2.85Å; V270-T272 VanDerWaalsContact C-N 3.28Å; V270-T272 PolarHBondContact O-N 2.88Å; V270-L281 HydrophobicContact CB-CD1 4.34Å; V270-L281 HydrophobicContact CG1-CD1 3.34Å; V270-H284 HydrophobicContact CG1-CB 4.18Å
271	T	47.8	Very low	68.5	Low	121 Å²	121	85 Å²	85	74%	0.742	48%	0.482	S	S	*	.			trans	-75.9	96	-175.6	37.6	0	0	0	0	103.6	K269 A273	K269-T271 PolarHBondContact O-N 3.42Å; T271-A273 PolarHBondContact O-N 3.49Å
272	T	52	Low	67.9	Low	93 Å²	93	84.4 Å²	84.4	57%	0.571	48%	0.479	S	S	*	.			trans	-56.6	105.5	170.8	38	0	0	0	0	106.5	V270 T274 L281	V270-T272 VanDerWaalsContact C-N 3.28Å; V270-T272 PolarHBondContact O-N 2.88Å; T272-T274 PolarHBondContact O-N 2.88Å; T272-L281 HydrophobicContact CG2-CD1 3.71Å; T272-L281 HydrophobicContact CG2-CD2 4.25Å
273	A	55.1	Low	67.4	Low	54 Å²	54	78.1 Å²	78.1	45%	0.446	45%	0.446	S	S	.	.			trans	-60.4	133.7	166.1	0	0	0	0	0	106.3	T271 G275 E276	T271-A273 PolarHBondContact O-N 3.49Å; A273-G275 PolarHBondContact O-N 2.93Å; A273-E276 HydrophobicContact CB-CG 4.13Å; A273-E276 PolarHBondContact O-N 3.06Å; A273-E276 VanDerWaalsContact O-N 3.09Å
274	T	49.2	Very low	67	Low	153 Å²	153	76.2 Å²	76.2	94%	0.939	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	112.9	179.9	42.3	0	0	0	0	109.7	T272	T272-T274 PolarHBondContact O-N 2.88Å
275	G	56.3	Low	66.9	Low	86 Å²	86	72.4 Å²	72.4	89%	0.887	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.8	0.9	179.1	0	0	0	0	0	116.1	A273	A273-G275 PolarHBondContact O-N 2.93Å
276	E	67.6	Low	67.6	Low	74 Å²	74	70.7 Å²	70.7	35%	0.346	41%	0.407	S	S	.	.			trans	-64.9	139.1	171.3	-81.7	178.3	-172.6	0	0	111.9	A273 H284	A273-E276 HydrophobicContact CB-CG 4.13Å; A273-E276 PolarHBondContact O-N 3.06Å; A273-E276 VanDerWaalsContact O-N 3.09Å; E276-H284 VanDerWaalsContact CD-CE1 3.48Å; E276-H284 IonicContact OE1-CE1 3.59Å; E276-H284 PolarHBondContact OE1-CE1 3.4Å; E276-H284 VanDerWaalsContact OE1-CE1 3.27Å; E276-H284 IonicContact OE1-ND1 2.8Å; E276-H284 IonicContact OE2-CE1 3.84Å; E276-H284 PolarHBondContact OE2-CE1 3.47Å; E276-H284 IonicContact OE2-ND1 2.7Å; E276-H284 PolarHBondContact OE2-ND1 2.96Å
277	N	80.4	Confident	69.2	Low	94 Å²	94	67 Å²	67	50%	0.503	38%	0.383	S	S	.	.			trans	-81.7	160.9	174.7	73.3	54.2	0	0	0	111	I279 S280 L281	N277-I279 PolarHBondContact O-N 2.95Å; N277-I279 WeakPolarHBondContact OD1-CA 3.41Å; N277-I279 WeakPolarHBondContact OD1-CB 3.37Å; N277-I279 PolarHBondContact OD1-N 3.2Å; N277-S280 PolarHBondContact ND2-OG 2.8Å; N277-S280 PolarHBondContact O-N 3.1Å; N277-S280 PolarHBondContact OD1-N 3.27Å; N277-S280 PolarHBondContact OD1-OG 3.09Å; N277-L281 PolarHBondContact O-N 3.07Å; N277-L281 VanDerWaalsContact O-N 3.14Å
278	F	82.6	Confident	71.3	Confident	96 Å²	96	65.4 Å²	65.4	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-29.7	-176.2	-64.3	-73.7	0	0	0	114.1	E240 V244 Q282	E240-F278 HydrophobicContact CB-CB 4.12Å; E240-F278 HydrophobicContact CB-CD2 4.23Å; E240-F278 HydrophobicContact CB-CG 4.31Å; E240-F278 HydrophobicContact CG-CB 4.18Å; E240-F278 HydrophobicContact CG-CD2 4.38Å; V244-F278 HydrophobicContact CG2-CD1 4.1Å; V244-F278 HydrophobicContact CG2-CE1 3.67Å; V244-F278 HydrophobicContact CG2-CZ 4.26Å; F278-Q282 VanDerWaalsContact O-CG 3.29Å; F278-Q282 WeakPolarHBondContact O-CG 3.19Å; F278-Q282 PolarHBondContact O-N 3.3Å; F278-Q282 PolarHBondContact O-NE2 2.83Å
279	I	83.8	Confident	73.1	Confident	17 Å²	17	59.7 Å²	59.7	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-75.5	-41.1	-179	-59	-53.5	0	0	0	110.8	L236 T239 E240 N277 L281 Q282 A283 F324 A328	L236-I279 HydrophobicContact CD1-CD1 4.28Å; T239-I279 HydrophobicContact CG2-CD1 3.84Å; E240-I279 HydrophobicContact CG-CD1 4.29Å; N277-I279 PolarHBondContact O-N 2.95Å; N277-I279 WeakPolarHBondContact OD1-CA 3.41Å; N277-I279 WeakPolarHBondContact OD1-CB 3.37Å; N277-I279 PolarHBondContact OD1-N 3.2Å; I279-L281 VanDerWaalsContact C-N 3.28Å; I279-L281 PolarHBondContact O-N 2.89Å; I279-Q282 PolarHBondContact O-N 3.13Å; I279-A283 PolarHBondContact O-N 3.5Å; I279-F324 HydrophobicContact CG2-CD1 4.12Å; I279-F324 HydrophobicContact CG2-CE1 4.28Å; I279-A328 HydrophobicContact CD1-CB 3.8Å; I279-A328 HydrophobicContact CG1-CB 4.29Å; I279-A328 HydrophobicContact CG2-CB 4.12Å
280	S	82.9	Confident	74.7	Confident	34 Å²	34	52.6 Å²	52.6	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-40.8	172.3	-61.1	0	0	0	0	111.3	N277 Q282 A283 H284	N277-S280 PolarHBondContact ND2-OG 2.8Å; N277-S280 PolarHBondContact O-N 3.1Å; N277-S280 PolarHBondContact OD1-N 3.27Å; N277-S280 PolarHBondContact OD1-OG 3.09Å; S280-Q282 VanDerWaalsContact C-N 3.31Å; S280-Q282 PolarHBondContact O-N 3Å; S280-A283 PolarHBondContact O-N 3.26Å; S280-H284 PolarHBondContact O-CD2 3.31Å; S280-H284 PolarHBondContact O-N 2.93Å
281	L	82.1	Confident	76.2	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-41.9	175.8	-177.4	61.2	0	0	0	112.4	V270 T272 N277 I279 H284 R285	V270-L281 HydrophobicContact CB-CD1 4.34Å; V270-L281 HydrophobicContact CG1-CD1 3.34Å; T272-L281 HydrophobicContact CG2-CD1 3.71Å; T272-L281 HydrophobicContact CG2-CD2 4.25Å; N277-L281 PolarHBondContact O-N 3.07Å; N277-L281 VanDerWaalsContact O-N 3.14Å; I279-L281 VanDerWaalsContact C-N 3.28Å; I279-L281 PolarHBondContact O-N 2.89Å; L281-H284 WeakPolarHBondContact O-CB 3.09Å; L281-H284 PolarHBondContact O-N 3.02Å; L281-R285 PolarHBondContact O-N 2.75Å
282	Q	85.1	Confident	77.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-42.3	177.1	-67.5	168.3	44.2	0	0	112.1	T239 W242 S243 F278 I279 S280 H284 R285 H286 F324	T239-Q282 PolarHBondContact O-NE2 3.14Å; W242-Q282 HydrophobicContact CE3-CG 3.97Å; W242-Q282 HydrophobicContact CZ3-CB 4.21Å; W242-Q282 HydrophobicContact CZ3-CG 3.67Å; S243-Q282 VanDerWaalsContact CB-NE2 3.25Å; F278-Q282 VanDerWaalsContact O-CG 3.29Å; F278-Q282 WeakPolarHBondContact O-CG 3.19Å; F278-Q282 PolarHBondContact O-N 3.3Å; F278-Q282 PolarHBondContact O-NE2 2.83Å; I279-Q282 PolarHBondContact O-N 3.13Å; S280-Q282 VanDerWaalsContact C-N 3.31Å; S280-Q282 PolarHBondContact O-N 3Å; Q282-H284 PolarHBondContact O-N 3.23Å; Q282-R285 PolarHBondContact O-N 3.48Å; Q282-R285 VanDerWaalsContact O-N 3.14Å; Q282-H286 PolarHBondContact O-CD2 3.03Å; Q282-H286 VanDerWaalsContact O-CD2 3.25Å; Q282-H286 PolarHBondContact O-N 3.3Å; Q282-F324 HydrophobicContact CB-CD1 4.43Å; Q282-F324 HydrophobicContact CB-CE1 3.45Å; Q282-F324 VanDerWaalsContact CB-CE1 3.45Å; Q282-F324 HydrophobicContact CB-CZ 3.64Å; Q282-F324 HydrophobicContact CG-CE1 4.41Å; Q282-F324 HydrophobicContact CG-CZ 4.5Å
283	A	85.5	Confident	79.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-58.9	-38.9	174.1	0	0	0	0	0	110.8	I279 S280 I287 R288 E321 F324	I279-A283 PolarHBondContact O-N 3.5Å; S280-A283 PolarHBondContact O-N 3.26Å; A283-I287 WeakPolarHBondContact O-CA 3.31Å; A283-I287 VanDerWaalsContact O-CB 3.23Å; A283-I287 WeakPolarHBondContact O-CB 3.18Å; A283-I287 PolarHBondContact O-N 3.07Å; A283-R288 PolarHBondContact O-N 3.2Å; A283-R288 VanDerWaalsContact O-N 3.1Å; A283-E321 HydrophobicContact CB-CB 4.19Å; A283-E321 HydrophobicContact CB-CG 4.07Å; A283-F324 HydrophobicContact CB-CB 4.5Å; A283-F324 HydrophobicContact CB-CD1 4.24Å; A283-F324 HydrophobicContact CB-CG 4.49Å
284	H	83.4	Confident	81	Confident	21 Å²	21	53.4 Å²	53.4	10%	0.097	29%	0.292	C	S	.	.	I	π-helix	trans	-65.5	-43.4	174.2	-61.6	171.6	0	0	0	112.5	V270 E276 S280 L281 Q282 R288 P289 E321	V270-H284 HydrophobicContact CG1-CB 4.18Å; E276-H284 VanDerWaalsContact CD-CE1 3.48Å; E276-H284 IonicContact OE1-CE1 3.59Å; E276-H284 PolarHBondContact OE1-CE1 3.4Å; E276-H284 VanDerWaalsContact OE1-CE1 3.27Å; E276-H284 IonicContact OE1-ND1 2.8Å; E276-H284 IonicContact OE2-CE1 3.84Å; E276-H284 PolarHBondContact OE2-CE1 3.47Å; E276-H284 IonicContact OE2-ND1 2.7Å; E276-H284 PolarHBondContact OE2-ND1 2.96Å; S280-H284 PolarHBondContact O-CD2 3.31Å; S280-H284 PolarHBondContact O-N 2.93Å; L281-H284 WeakPolarHBondContact O-CB 3.09Å; L281-H284 PolarHBondContact O-N 3.02Å; Q282-H284 PolarHBondContact O-N 3.23Å; H284-R288 PolarHBondContact CD2-NE 2.81Å; H284-R288 PolarHBondContact CD2-NH1 3.32Å; H284-R288 PolarHBondContact CD2-NH2 2.81Å; H284-R288 PolarHBondContact NE2-NH1 2.9Å; H284-R288 PolarHBondContact NE2-NH2 2.95Å; H284-P289 WeakPolarHBondContact O-CD 3.37Å; H284-E321 IonicContact CD2-OE1 3.96Å
285	R	85.2	Confident	83.1	Confident	8 Å²	8	46.2 Å²	46.2	3%	0.03	25%	0.248	C	C	.	.	I	π-helix	trans	-71.4	-35.8	-177.8	-173.1	-178.2	-86.9	139.2	-0.7	113.1	E246 E250 L281 Q282 P289	E246-R285 IonicContact OE2-CZ 3.66Å; E246-R285 IonicContact OE2-NH1 3.2Å; E246-R285 PolarHBondContact OE2-NH1 2.91Å; E250-R285 IonicContact OE1-CZ 3.07Å; E250-R285 IonicContact OE1-NE 3.77Å; E250-R285 PolarHBondContact OE1-NE 3.05Å; E250-R285 IonicContact OE1-NH2 3.75Å; E250-R285 PolarHBondContact OE1-NH2 3.14Å; E250-R285 IonicContact OE2-CZ 3.34Å; E250-R285 IonicContact OE2-NE 2.89Å; E250-R285 IonicContact OE2-NH2 2.73Å; E250-R285 PolarHBondContact OE2-NH2 2.95Å; L281-R285 PolarHBondContact O-N 2.75Å; Q282-R285 PolarHBondContact O-N 3.48Å; Q282-R285 VanDerWaalsContact O-N 3.14Å; R285-P289 WeakPolarHBondContact O-CG 3.42Å
286	H	89.3	Confident	85	Confident	5 Å²	5	44.8 Å²	44.8	2%	0.023	22%	0.22	C	C	.	.	I	π-helix	trans	-116.8	-23.8	-169.5	-56.4	-67.4	0	0	0	115.2	W242 E246 Y259 Q282 L290	W242-H286 AromaticContact CH2-CD2 3.54Å; W242-H286 AromaticContact CH2-CE1 3.81Å; W242-H286 AromaticContact CH2-NE2 3.21Å; W242-H286 WeakPolarHBondContact CH2-NE2 3.41Å; W242-H286 AromaticContact CZ3-CD2 3.92Å; W242-H286 AromaticContact CZ3-NE2 3.79Å; E246-H286 IonicContact OE1-CE1 3.7Å; E246-H286 PolarHBondContact OE1-CE1 3.44Å; E246-H286 IonicContact OE1-NE2 2.75Å; E246-H286 PolarHBondContact OE1-NE2 2.83Å; E246-H286 IonicContact OE2-NE2 3.48Å; E246-H286 PolarHBondContact OE2-NE2 3.31Å; Y259-H286 AromaticContact CZ-ND1 3.68Å; Y259-H286 WeakPolarHBondContact OH-CB 3.35Å; Y259-H286 PolarHBondContact OH-ND1 2.78Å; Q282-H286 PolarHBondContact O-CD2 3.03Å; Q282-H286 VanDerWaalsContact O-CD2 3.25Å; Q282-H286 PolarHBondContact O-N 3.3Å; H286-L290 WeakPolarHBondContact O-CD1 3.39Å; H286-L290 WeakPolarHBondContact O-CG 3.26Å
287	I	89.9	Confident	86.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.228	C	C	.	.	I	π-helix	trans	-101.7	-42.5	-175.7	-54	-56.7	0	0	0	111.7	P67 A283 L290 H291 A320 F324	P67-I287 WeakPolarHBondContact O-CD1 3.5Å; A283-I287 WeakPolarHBondContact O-CA 3.31Å; A283-I287 VanDerWaalsContact O-CB 3.23Å; A283-I287 WeakPolarHBondContact O-CB 3.18Å; A283-I287 PolarHBondContact O-N 3.07Å; I287-L290 WeakPolarHBondContact O-CB 3.39Å; I287-L290 PolarHBondContact O-N 2.93Å; I287-L290 VanDerWaalsContact O-N 3.13Å; I287-H291 PolarHBondContact O-ND1 3.2Å; I287-A320 HydrophobicContact CG2-CB 3.62Å; I287-F324 HydrophobicContact CD1-CD2 3.9Å; I287-F324 HydrophobicContact CG1-CB 4.01Å; I287-F324 HydrophobicContact CG1-CD2 3.87Å; I287-F324 HydrophobicContact CG1-CG 4.1Å
288	R	86.9	Confident	87.1	Confident	123 Å²	123	42.6 Å²	42.6	46%	0.464	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-58.6	-41	177.2	-69.5	-173	173.3	170.6	2.8	113.7	A283 H284 L290 H291 K292 E321	A283-R288 PolarHBondContact O-N 3.2Å; A283-R288 VanDerWaalsContact O-N 3.1Å; H284-R288 PolarHBondContact CD2-NE 2.81Å; H284-R288 PolarHBondContact CD2-NH1 3.32Å; H284-R288 PolarHBondContact CD2-NH2 2.81Å; H284-R288 PolarHBondContact NE2-NH1 2.9Å; H284-R288 PolarHBondContact NE2-NH2 2.95Å; R288-L290 PolarHBondContact O-N 2.86Å; R288-H291 CarbonylContact O-C 3.48Å; R288-H291 WeakPolarHBondContact O-CA 3.42Å; R288-H291 PolarHBondContact O-N 2.93Å; R288-K292 PolarHBondContact O-N 2.78Å; R288-E321 IonicContact CZ-OE1 3.27Å; R288-E321 IonicContact NE-OE1 3.88Å; R288-E321 PolarHBondContact NE-OE1 2.94Å; R288-E321 IonicContact NH2-OE1 3.3Å; R288-E321 PolarHBondContact NH2-OE1 3.33Å; R288-E321 IonicContact NH2-OE2 3.34Å
289	P	86.9	Confident	87.8	Confident	44 Å²	44	38 Å²	38	29%	0.286	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-64.3	-23.2	178.2	-25.4	37.5	0	0	0	113.8	H284 R285 H291 K292	H284-P289 WeakPolarHBondContact O-CD 3.37Å; R285-P289 WeakPolarHBondContact O-CG 3.42Å; P289-H291 PolarHBondContact O-N 3.17Å; P289-K292 WeakPolarHBondContact O-CG 3.2Å
290	L	83.8	Confident	88.5	Confident	12 Å²	12	38.8 Å²	38.8	6%	0.063	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-74.5	-10.1	173.1	-55.3	178.9	0	0	0	112.5	F74 H286 I287 R288 W316	F74-L290 HydrophobicContact CD1-CD2 4.17Å; F74-L290 HydrophobicContact CD2-CB 4.11Å; F74-L290 HydrophobicContact CD2-CD2 3.77Å; F74-L290 HydrophobicContact CE1-CD2 3.99Å; F74-L290 HydrophobicContact CE2-CD2 3.58Å; F74-L290 HydrophobicContact CG-CD2 4.06Å; F74-L290 HydrophobicContact CZ-CD2 3.7Å; H286-L290 WeakPolarHBondContact O-CD1 3.39Å; H286-L290 WeakPolarHBondContact O-CG 3.26Å; I287-L290 WeakPolarHBondContact O-CB 3.39Å; I287-L290 PolarHBondContact O-N 2.93Å; I287-L290 VanDerWaalsContact O-N 3.13Å; R288-L290 PolarHBondContact O-N 2.86Å; L290-W316 WeakPolarHBondContact O-CH2 3.26Å
291	H	83.8	Confident	89.1	Confident	24 Å²	24	38.9 Å²	38.9	11%	0.111	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-124.7	33.1	-179.8	-55.7	87.7	0	0	0	111.7	G68 I287 R288 P289 W316 G317	G68-H291 PolarHBondContact O-CE1 3.15Å; I287-H291 PolarHBondContact O-ND1 3.2Å; R288-H291 CarbonylContact O-C 3.48Å; R288-H291 WeakPolarHBondContact O-CA 3.42Å; R288-H291 PolarHBondContact O-N 2.93Å; P289-H291 PolarHBondContact O-N 3.17Å; H291-W316 HydrophobicContact CB-CH2 4.15Å; H291-W316 HydrophobicContact CB-CZ3 3.84Å; H291-W316 AromaticContact CD2-CE3 3.75Å; H291-W316 AromaticContact CD2-CH2 3.33Å; H291-W316 WeakPolarHBondContact CD2-CH2 3.46Å; H291-W316 AromaticContact CD2-CZ2 3.72Å; H291-W316 AromaticContact CD2-CZ3 3.37Å; H291-W316 WeakPolarHBondContact CD2-CZ3 2.93Å; H291-W316 AromaticContact CG-CH2 3.93Å; H291-W316 AromaticContact CG-CZ3 3.93Å; H291-G317 VanDerWaalsContact CD2-CA 3.42Å; H291-G317 WeakPolarHBondContact CD2-CA 3.37Å; H291-G317 WeakPolarHBondContact NE2-CA 3.38Å
292	K	84.1	Confident	89.8	Confident	112 Å²	112	40.6 Å²	40.6	49%	0.487	21%	0.209	S	C	.	.			trans	-43.7	147.2	175.6	-85	171.3	-175	-179.4	0	111.9	R288 P289 S294 L295 N296	R288-K292 PolarHBondContact O-N 2.78Å; P289-K292 WeakPolarHBondContact O-CG 3.2Å; K292-S294 VanDerWaalsContact C-N 3.28Å; K292-S294 PolarHBondContact O-N 3.36Å; K292-S294 VanDerWaalsContact O-N 3.12Å; K292-L295 PolarHBondContact O-N 3.44Å; K292-N296 PolarHBondContact O-N 3.31Å
293	Q	83.6	Confident	90.4	Very high	148 Å²	148	40.7 Å²	40.7	69%	0.692	21%	0.21	S	C	*	.	H	α-helix	trans	-49.3	-46.2	-172.4	-177.9	177.2	-6.1	0	0	113.2	L295 N296 E297	Q293-L295 PolarHBondContact O-N 2.95Å; Q293-N296 WeakPolarHBondContact O-CB 3.25Å; Q293-N296 PolarHBondContact O-N 3.44Å; Q293-E297 HydrophobicContact CG-CG 4.31Å; Q293-E297 VanDerWaalsContact CG-OE1 3.29Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.42Å; Q293-E297 PolarHBondContact NE2-OE1 3.47Å; Q293-E297 WeakPolarHBondContact O-CB 3.43Å; Q293-E297 VanDerWaalsContact O-CG 3.27Å; Q293-E297 WeakPolarHBondContact O-CG 3.45Å; Q293-E297 PolarHBondContact O-N 3.41Å
294	S	89.1	Confident	91	Very high	53 Å²	53	43.2 Å²	43.2	37%	0.371	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-43.2	179.4	53.1	0	0	0	0	113.1	K292 E297 L298	K292-S294 VanDerWaalsContact C-N 3.28Å; K292-S294 PolarHBondContact O-N 3.36Å; K292-S294 VanDerWaalsContact O-N 3.12Å; S294-E297 PolarHBondContact O-N 3.28Å; S294-L298 WeakPolarHBondContact O-CB 3.33Å; S294-L298 PolarHBondContact O-N 2.98Å
295	L	93.8	Very high	91.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-70.2	-37.7	176.8	-175.4	59.3	0	0	0	111	F74 F77 E78 K292 Q293 L298 M299 W316	F74-L295 HydrophobicContact CB-CD2 4.25Å; F74-L295 HydrophobicContact CD2-CD2 4.11Å; F77-L295 HydrophobicContact CB-CD1 3.95Å; E78-L295 HydrophobicContact CG-CD2 4.03Å; K292-L295 PolarHBondContact O-N 3.44Å; Q293-L295 PolarHBondContact O-N 2.95Å; L295-L298 HydrophobicContact CD1-CD2 4.06Å; L295-L298 PolarHBondContact O-N 3.01Å; L295-M299 HydrophobicContact CD1-CG 4.02Å; L295-M299 HydrophobicContact CG-CG 4.31Å; L295-M299 WeakPolarHBondContact O-CB 3.34Å; L295-M299 VanDerWaalsContact O-CG 3.26Å; L295-M299 WeakPolarHBondContact O-CG 3.18Å; L295-M299 PolarHBondContact O-N 3.36Å; L295-W316 HydrophobicContact CB-CH2 4.42Å; L295-W316 HydrophobicContact CD2-CH2 3.56Å; L295-W316 HydrophobicContact CD2-CZ2 4.14Å; L295-W316 HydrophobicContact CD2-CZ3 4.44Å; L295-W316 HydrophobicContact CG-CH2 3.57Å; L295-W316 HydrophobicContact CG-CZ2 4.26Å; L295-W316 HydrophobicContact CG-CZ3 4.05Å
296	N	94.4	Very high	92.1	Very high	56 Å²	56	52.2 Å²	52.2	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-45.9	173.9	-170.7	-79.2	0	0	0	111.8	K292 Q293 M299 N300 W316	K292-N296 PolarHBondContact O-N 3.31Å; Q293-N296 WeakPolarHBondContact O-CB 3.25Å; Q293-N296 PolarHBondContact O-N 3.44Å; N296-M299 PolarHBondContact O-N 3.06Å; N296-N300 PolarHBondContact ND2-ND2 3.36Å; N296-N300 VanDerWaalsContact O-CB 3.31Å; N296-N300 WeakPolarHBondContact O-CB 3.39Å; N296-N300 PolarHBondContact O-N 3.34Å; N296-N300 PolarHBondContact O-ND2 3.24Å; N296-N300 PolarHBondContact OD1-ND2 3.38Å; N296-N300 VanDerWaalsContact OD1-ND2 3.08Å; N296-W316 HydrophobicContact CB-CE3 4.45Å; N296-W316 HydrophobicContact CB-CZ3 4.29Å; N296-W316 PolarHBondContact ND2-O 2.73Å
297	E	96.3	Very high	92.4	Very high	110 Å²	110	52 Å²	52	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-42.4	176.3	-74.5	171.5	-178.7	0	0	111.6	Q293 S294 G301	Q293-E297 HydrophobicContact CG-CG 4.31Å; Q293-E297 VanDerWaalsContact CG-OE1 3.29Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.42Å; Q293-E297 PolarHBondContact NE2-OE1 3.47Å; Q293-E297 WeakPolarHBondContact O-CB 3.43Å; Q293-E297 VanDerWaalsContact O-CG 3.27Å; Q293-E297 WeakPolarHBondContact O-CG 3.45Å; Q293-E297 PolarHBondContact O-N 3.41Å; S294-E297 PolarHBondContact O-N 3.28Å; E297-G301 WeakPolarHBondContact O-CA 3.36Å; E297-G301 PolarHBondContact O-N 3.45Å
298	L	96.4	Very high	92.7	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-52.7	174.8	177.6	70.9	0	0	0	111.5	F77 R85 L87 S294 L295 P302 I303	F77-L298 HydrophobicContact CB-CD2 4.17Å; F77-L298 HydrophobicContact CD1-CD2 3.89Å; F77-L298 HydrophobicContact CD2-CD2 4.19Å; F77-L298 HydrophobicContact CE1-CD2 4.35Å; F77-L298 HydrophobicContact CG-CD2 3.81Å; R85-L298 HydrophobicContact CB-CD2 4.47Å; R85-L298 WeakPolarHBondContact O-CD2 3.4Å; L87-L298 HydrophobicContact CD1-CD1 3.98Å; L87-L298 HydrophobicContact CD2-CD1 3.82Å; L87-L298 HydrophobicContact CG-CD1 3.83Å; S294-L298 WeakPolarHBondContact O-CB 3.33Å; S294-L298 PolarHBondContact O-N 2.98Å; L295-L298 HydrophobicContact CD1-CD2 4.06Å; L295-L298 PolarHBondContact O-N 3.01Å; L298-P302 HydrophobicContact CD1-CG 3.75Å; L298-P302 WeakPolarHBondContact O-CD 3.43Å; L298-P302 WeakPolarHBondContact O-CG 3.48Å; L298-I303 HydrophobicContact CD1-CD1 4.48Å; L298-I303 HydrophobicContact CD1-CG1 4.08Å; L298-I303 HydrophobicContact CG-CG1 3.87Å; L298-I303 WeakPolarHBondContact O-CG1 3.46Å; L298-I303 PolarHBondContact O-N 3.49Å; L298-I303 VanDerWaalsContact O-N 3.12Å
299	M	97.9	Very high	93.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-67.8	-46.8	-174.1	-68.5	-56.1	-71.1	0	0	111.5	F77 F111 L295 N296 I303 R304 W316	F77-M299 HydrophobicContact CD2-SD 3.67Å; F77-M299 HydrophobicContact CE2-CE 4.35Å; F77-M299 HydrophobicContact CE2-SD 3.52Å; F77-M299 VanDerWaalsContact CE2-SD 3.52Å; F111-M299 HydrophobicContact CD2-CE 4.18Å; F111-M299 HydrophobicContact CE2-CE 3.52Å; F111-M299 HydrophobicContact CZ-CB 4.44Å; F111-M299 HydrophobicContact CZ-CE 4.21Å; F111-M299 WeakPolarHBondContact CZ-O 3.49Å; L295-M299 HydrophobicContact CD1-CG 4.02Å; L295-M299 HydrophobicContact CG-CG 4.31Å; L295-M299 WeakPolarHBondContact O-CB 3.34Å; L295-M299 VanDerWaalsContact O-CG 3.26Å; L295-M299 WeakPolarHBondContact O-CG 3.18Å; L295-M299 PolarHBondContact O-N 3.36Å; N296-M299 PolarHBondContact O-N 3.06Å; M299-I303 HydrophobicContact CE-CG2 4.01Å; M299-I303 HydrophobicContact SD-CB 4.17Å; M299-I303 HydrophobicContact SD-CG1 4.07Å; M299-I303 HydrophobicContact SD-CG2 3.98Å; M299-R304 WeakPolarHBondContact O-CB 3.47Å; M299-R304 PolarHBondContact O-N 3.09Å; M299-W316 HydrophobicContact CB-CB 3.88Å; M299-W316 HydrophobicContact CB-CD2 3.52Å; M299-W316 HydrophobicContact CB-CE3 3.76Å; M299-W316 HydrophobicContact CB-CG 3.57Å; M299-W316 HydrophobicContact CB-CZ3 4.47Å; M299-W316 HydrophobicContact CE-CG 4.42Å; M299-W316 HydrophobicContact CG-CD2 3.71Å; M299-W316 HydrophobicContact CG-CE3 4.02Å; M299-W316 HydrophobicContact CG-CG 4.09Å; M299-W316 HydrophobicContact CG-CH2 4.36Å; M299-W316 HydrophobicContact CG-CZ2 4.09Å; M299-W316 HydrophobicContact CG-CZ3 4.32Å
300	N	97.8	Very high	93.8	Very high	33 Å²	33	50.3 Å²	50.3	18%	0.176	27%	0.265	C	S	.	.	I	π-helix	trans	-79.2	-15.5	-179.6	-71.2	-54.6	0	0	0	114.2	N296 R304 T315 W316	N296-N300 PolarHBondContact ND2-ND2 3.36Å; N296-N300 VanDerWaalsContact O-CB 3.31Å; N296-N300 WeakPolarHBondContact O-CB 3.39Å; N296-N300 PolarHBondContact O-N 3.34Å; N296-N300 PolarHBondContact O-ND2 3.24Å; N296-N300 PolarHBondContact OD1-ND2 3.38Å; N296-N300 VanDerWaalsContact OD1-ND2 3.08Å; N300-R304 WeakPolarHBondContact O-CB 3.36Å; N300-R304 WeakPolarHBondContact O-CD 3.47Å; N300-T315 WeakPolarHBondContact ND2-CG2 3.2Å; N300-T315 WeakPolarHBondContact OD1-CG2 3.42Å; N300-W316 PolarHBondContact ND2-O 3.1Å; N300-W316 WeakPolarHBondContact OD1-CB 3.23Å; N300-W316 PolarHBondContact OD1-N 3.24Å
301	G	96.7	Very high	94.4	Very high	35 Å²	35	51.3 Å²	51.3	36%	0.361	27%	0.272	S	S	.	.	I	π-helix	trans	-98.7	-103	177.7	0	0	0	0	0	112.8	E297 I303 R304 K305	E297-G301 WeakPolarHBondContact O-CA 3.36Å; E297-G301 PolarHBondContact O-N 3.45Å; G301-I303 PolarHBondContact O-N 3.05Å; G301-R304 PolarHBondContact O-N 3.21Å; G301-K305 PolarHBondContact O-N 2.94Å; G301-K305 VanDerWaalsContact O-N 3.1Å
302	P	96.7	Very high	95	Very high	53 Å²	53	59.4 Å²	59.4	34%	0.344	31%	0.31	S	S	.	.	I	π-helix	trans	-61.3	-38.5	-172.6	24.6	-35.6	0	0	0	113.7	L19 L298 K305 K306	L19-P302 HydrophobicContact CD1-CB 4.33Å; L298-P302 HydrophobicContact CD1-CG 3.75Å; L298-P302 WeakPolarHBondContact O-CD 3.43Å; L298-P302 WeakPolarHBondContact O-CG 3.48Å; P302-K305 PolarHBondContact O-N 3.05Å; P302-K306 PolarHBondContact O-N 2.8Å
303	I	96.9	Very high	95.5	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.015	32%	0.32	C	S	.	.	I	π-helix	trans	-69.5	-48.4	-179.3	-61.1	-56	0	0	0	110.8	W43 F77 L87 F111 L298 M299 G301 K305 K306 L307	W43-I303 HydrophobicContact CH2-CD1 4.36Å; W43-I303 HydrophobicContact CH2-CG2 3.91Å; W43-I303 HydrophobicContact CZ3-CG2 3.75Å; F77-I303 HydrophobicContact CE1-CD1 4.09Å; F77-I303 HydrophobicContact CE2-CD1 4.3Å; F77-I303 HydrophobicContact CE2-CG1 4.2Å; F77-I303 HydrophobicContact CZ-CD1 3.55Å; F77-I303 HydrophobicContact CZ-CG1 3.93Å; L87-I303 HydrophobicContact CD2-CD1 4.39Å; F111-I303 HydrophobicContact CE2-CG2 4.49Å; L298-I303 HydrophobicContact CD1-CD1 4.48Å; L298-I303 HydrophobicContact CD1-CG1 4.08Å; L298-I303 HydrophobicContact CG-CG1 3.87Å; L298-I303 WeakPolarHBondContact O-CG1 3.46Å; L298-I303 PolarHBondContact O-N 3.49Å; L298-I303 VanDerWaalsContact O-N 3.12Å; M299-I303 HydrophobicContact CE-CG2 4.01Å; M299-I303 HydrophobicContact SD-CB 4.17Å; M299-I303 HydrophobicContact SD-CG1 4.07Å; M299-I303 HydrophobicContact SD-CG2 3.98Å; G301-I303 PolarHBondContact O-N 3.05Å; I303-K305 PolarHBondContact O-N 2.7Å; I303-K306 WeakPolarHBondContact O-CA 3.05Å; I303-K306 WeakPolarHBondContact O-CB 3.39Å; I303-K306 PolarHBondContact O-N 2.89Å; I303-L307 HydrophobicContact CG2-CD1 3.77Å; I303-L307 HydrophobicContact CG2-CG 4.09Å; I303-L307 WeakPolarHBondContact O-CG 3.42Å; I303-L307 PolarHBondContact O-N 3.42Å
304	R	97.4	Very high	96.2	Very high	53 Å²	53	53.6 Å²	53.6	20%	0.2	29%	0.289	C	S	.	.	H	α-helix	trans	-50.4	-44.3	172.2	-174	-165.5	-178.8	89.9	11.5	112	M299 N300 G301 L307 A308 I310 P311 V314	M299-R304 WeakPolarHBondContact O-CB 3.47Å; M299-R304 PolarHBondContact O-N 3.09Å; N300-R304 WeakPolarHBondContact O-CB 3.36Å; N300-R304 WeakPolarHBondContact O-CD 3.47Å; G301-R304 PolarHBondContact O-N 3.21Å; R304-L307 PolarHBondContact O-N 3.35Å; R304-A308 PolarHBondContact O-N 2.87Å; R304-I310 HydrophobicContact CG-CB 4.1Å; R304-I310 HydrophobicContact CG-CG1 4.21Å; R304-I310 PolarHBondContact NH2-O 3.12Å; R304-P311 VanDerWaalsContact NH2-C 3.31Å; R304-P311 PolarHBondContact NH2-O 3.19Å; R304-V314 PolarHBondContact NH1-O 3.07Å
305	K	96.8	Very high	96.5	Very high	179 Å²	179	54.8 Å²	54.8	78%	0.778	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-40.3	177.7	-173.7	-178.9	177.8	-176.7	0	112.3	G301 P302 I303	G301-K305 PolarHBondContact O-N 2.94Å; G301-K305 VanDerWaalsContact O-N 3.1Å; P302-K305 PolarHBondContact O-N 3.05Å; I303-K305 PolarHBondContact O-N 2.7Å
306	K	95.3	Very high	96.7	Very high	38 Å²	38	54.8 Å²	54.8	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-48.4	174.7	-179.2	-172.2	-177.2	-176.5	0	111.2	E27 W29 W43 P302 I303 A308	E27-K306 IonicContact OE1-NZ 2.7Å; E27-K306 PolarHBondContact OE1-NZ 2.84Å; E27-K306 IonicContact OE2-NZ 3.99Å; E27-K306 PolarHBondContact OE2-NZ 3.48Å; W29-K306 HydrophobicContact CH2-CG 4.31Å; W43-K306 HydrophobicContact CZ2-CD 4.43Å; P302-K306 PolarHBondContact O-N 2.8Å; I303-K306 WeakPolarHBondContact O-CA 3.05Å; I303-K306 WeakPolarHBondContact O-CB 3.39Å; I303-K306 PolarHBondContact O-N 2.89Å; K306-A308 VanDerWaalsContact C-N 3.34Å; K306-A308 PolarHBondContact O-N 3.45Å
307	L	96.3	Very high	96.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.1	-35.9	-174.9	-64.4	175.6	0	0	0	112.1	W29 F41 W43 F111 I303 R304 I309 I310	W29-L307 HydrophobicContact CB-CD2 4.27Å; W29-L307 HydrophobicContact CD2-CD2 3.42Å; W29-L307 VanDerWaalsContact CD2-CD2 3.42Å; W29-L307 HydrophobicContact CE3-CD2 3.91Å; W29-L307 HydrophobicContact CG-CD2 3.57Å; W29-L307 HydrophobicContact CZ2-CD2 4.19Å; W29-L307 HydrophobicContact CZ3-CD2 4.46Å; W29-L307 PolarHBondContact NE1-O 3.25Å; F41-L307 HydrophobicContact CE1-CD1 4.31Å; F41-L307 HydrophobicContact CE2-CD1 4.4Å; F41-L307 HydrophobicContact CZ-CD1 3.71Å; F41-L307 HydrophobicContact CZ-CD2 4.08Å; F41-L307 HydrophobicContact CZ-CG 4.49Å; W43-L307 HydrophobicContact CD2-CD2 4.25Å; W43-L307 HydrophobicContact CE3-CD2 4.33Å; W43-L307 HydrophobicContact CH2-CD2 4.25Å; W43-L307 HydrophobicContact CZ2-CD2 4.15Å; W43-L307 HydrophobicContact CZ3-CD2 4.35Å; F111-L307 HydrophobicContact CD2-CD1 4.02Å; F111-L307 HydrophobicContact CE2-CD1 3.54Å; F111-L307 HydrophobicContact CZ-CD1 4.33Å; I303-L307 HydrophobicContact CG2-CD1 3.77Å; I303-L307 HydrophobicContact CG2-CG 4.09Å; I303-L307 WeakPolarHBondContact O-CG 3.42Å; I303-L307 PolarHBondContact O-N 3.42Å; R304-L307 PolarHBondContact O-N 3.35Å; L307-I309 PolarHBondContact O-N 2.96Å; L307-I310 HydrophobicContact CB-CD1 4.41Å; L307-I310 HydrophobicContact CB-CG1 4.19Å; L307-I310 HydrophobicContact CD1-CD1 4.05Å; L307-I310 HydrophobicContact CD1-CG1 4.26Å
308	A	96.8	Very high	96.6	Very high	72 Å²	72	50.2 Å²	50.2	60%	0.595	29%	0.29	S	S	*	.			trans	59.1	-11.2	174.4	0	0	0	0	0	117.2	R304 K306	R304-A308 PolarHBondContact O-N 2.87Å; K306-A308 VanDerWaalsContact C-N 3.34Å; K306-A308 PolarHBondContact O-N 3.45Å
309	I	97.6	Very high	96.6	Very high	50 Å²	50	52.1 Å²	52.1	26%	0.256	30%	0.299	S	S	.	.			trans	-98.4	-6.8	-178.5	67.4	166.1	0	0	0	113.7	Y31 F41 L307 P311	Y31-I309 HydrophobicContact CD2-CD1 3.83Å; Y31-I309 HydrophobicContact CD2-CG1 4.33Å; Y31-I309 HydrophobicContact CE2-CD1 4.15Å; Y31-I309 HydrophobicContact CE2-CG1 4.21Å; F41-I309 HydrophobicContact CE2-CD1 4.3Å; L307-I309 PolarHBondContact O-N 2.96Å; I309-P311 WeakPolarHBondContact O-CD 3.09Å
310	I	98.2	Very high	96.5	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.062	30%	0.3	C	S	.	.	S	Bend	trans	-68.7	119.8	-176.8	-49.9	-55.7	0	0	0	109.9	Y31 F41 F111 R304 L307 V314	Y31-I310 HydrophobicContact CE2-CD1 4Å; Y31-I310 WeakPolarHBondContact OH-CD1 3.25Å; F41-I310 HydrophobicContact CD2-CD1 4.31Å; F41-I310 HydrophobicContact CE2-CD1 4.15Å; F111-I310 HydrophobicContact CB-CD1 4.06Å; F111-I310 HydrophobicContact CD1-CD1 3.9Å; F111-I310 HydrophobicContact CD1-CG1 4.1Å; F111-I310 HydrophobicContact CD1-CG2 3.68Å; F111-I310 HydrophobicContact CD2-CD1 3.88Å; F111-I310 HydrophobicContact CE1-CD1 4.25Å; F111-I310 HydrophobicContact CE1-CG1 4Å; F111-I310 HydrophobicContact CE1-CG2 3.83Å; F111-I310 HydrophobicContact CE2-CD1 4.24Å; F111-I310 HydrophobicContact CE2-CG1 4.43Å; F111-I310 HydrophobicContact CG-CD1 3.71Å; F111-I310 HydrophobicContact CG-CG1 4.36Å; F111-I310 HydrophobicContact CZ-CD1 4.42Å; F111-I310 HydrophobicContact CZ-CG1 4.18Å; R304-I310 HydrophobicContact CG-CB 4.1Å; R304-I310 HydrophobicContact CG-CG1 4.21Å; R304-I310 PolarHBondContact NH2-O 3.12Å; L307-I310 HydrophobicContact CB-CD1 4.41Å; L307-I310 HydrophobicContact CB-CG1 4.19Å; L307-I310 HydrophobicContact CD1-CD1 4.05Å; L307-I310 HydrophobicContact CD1-CG1 4.26Å; I310-V314 HydrophobicContact CG2-CB 4.18Å; I310-V314 HydrophobicContact CG2-CG1 4.12Å
311	P	97.6	Very high	96.3	Very high	32 Å²	32	53.9 Å²	53.9	21%	0.208	31%	0.306	C	S	.	.			trans	-57.7	144.8	-178.7	-24.6	33.8	0	0	0	112.6	Y113 R304 I309 N313 V314	Y113-P311 HydrophobicContact CE1-CG 3.88Å; R304-P311 VanDerWaalsContact NH2-C 3.31Å; R304-P311 PolarHBondContact NH2-O 3.19Å; I309-P311 WeakPolarHBondContact O-CD 3.09Å; P311-N313 WeakPolarHBondContact CB-OD1 3.39Å; P311-N313 PolarHBondContact O-N 3Å; P311-N313 VanDerWaalsContact O-N 3.13Å; P311-V314 HydrophobicContact CB-CB 4.39Å; P311-V314 HydrophobicContact CB-CG2 3.9Å; P311-V314 HydrophobicContact CG-CG2 4.06Å; P311-V314 PolarHBondContact O-N 3.08Å
312	Q	95.5	Very high	96.2	Very high	194 Å²	194	55.9 Å²	55.9	91%	0.907	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.3	-174.3	-70.3	-175.6	-4.8	0	0	114
313	N	94.8	Very high	96.2	Very high	130 Å²	130	53.4 Å²	53.4	70%	0.695	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.1	179.5	65.5	-42.9	0	0	0	114	P311	P311-N313 WeakPolarHBondContact CB-OD1 3.39Å; P311-N313 PolarHBondContact O-N 3Å; P311-N313 VanDerWaalsContact O-N 3.13Å
314	V	97.3	Very high	96.2	Very high	9 Å²	9	53.4 Å²	53.4	6%	0.055	29%	0.292	C	S	.	.			trans	-101.5	130.6	178.4	174.8	0	0	0	0	108.5	Y113 R304 I310 P311	Y113-V314 HydrophobicContact CD1-CG1 4.29Å; Y113-V314 HydrophobicContact CD1-CG2 3.55Å; Y113-V314 HydrophobicContact CD2-CG2 3.69Å; Y113-V314 HydrophobicContact CE1-CG2 3.94Å; Y113-V314 HydrophobicContact CE2-CG2 4.05Å; Y113-V314 HydrophobicContact CG-CG1 4.47Å; Y113-V314 HydrophobicContact CG-CG2 3.42Å; Y113-V314 VanDerWaalsContact CG-CG2 3.42Å; R304-V314 PolarHBondContact NH1-O 3.07Å; I310-V314 HydrophobicContact CG2-CB 4.18Å; I310-V314 HydrophobicContact CG2-CG1 4.12Å; P311-V314 HydrophobicContact CB-CB 4.39Å; P311-V314 HydrophobicContact CB-CG2 3.9Å; P311-V314 HydrophobicContact CG-CG2 4.06Å; P311-V314 PolarHBondContact O-N 3.08Å
315	T	96.9	Very high	96.1	Very high	77 Å²	77	53.1 Å²	53.1	47%	0.472	30%	0.299	S	S	.	.			trans	-119	137.6	172.5	-59.9	0	0	0	0	107.8	N300 G317 G318	N300-T315 WeakPolarHBondContact ND2-CG2 3.2Å; N300-T315 WeakPolarHBondContact OD1-CG2 3.42Å; T315-G317 PolarHBondContact O-N 3.21Å; T315-G318 PolarHBondContact O-N 3.21Å
316	W	97.9	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	124.2	176.6	-176.4	80.7	0	0	0	110.5	S70 G110 F111 L290 H291 L295 N296 M299 N300 G318	S70-W316 PolarHBondContact OG-NE1 3.22Å; G110-W316 WeakPolarHBondContact O-CA 3.35Å; F111-W316 HydrophobicContact CD1-CB 3.85Å; F111-W316 HydrophobicContact CD1-CG 4.42Å; F111-W316 AromaticContact CD2-CD1 3.94Å; F111-W316 HydrophobicContact CE1-CB 3.47Å; F111-W316 VanDerWaalsContact CE1-CB 3.47Å; F111-W316 HydrophobicContact CE1-CG 4.22Å; F111-W316 AromaticContact CG-CD1 3.99Å; F111-W316 HydrophobicContact CZ-CB 3.88Å; F111-W316 HydrophobicContact CZ-CG 4.29Å; L290-W316 WeakPolarHBondContact O-CH2 3.26Å; H291-W316 HydrophobicContact CB-CH2 4.15Å; H291-W316 HydrophobicContact CB-CZ3 3.84Å; H291-W316 AromaticContact CD2-CE3 3.75Å; H291-W316 AromaticContact CD2-CH2 3.33Å; H291-W316 WeakPolarHBondContact CD2-CH2 3.46Å; H291-W316 AromaticContact CD2-CZ2 3.72Å; H291-W316 AromaticContact CD2-CZ3 3.37Å; H291-W316 WeakPolarHBondContact CD2-CZ3 2.93Å; H291-W316 AromaticContact CG-CH2 3.93Å; H291-W316 AromaticContact CG-CZ3 3.93Å; L295-W316 HydrophobicContact CB-CH2 4.42Å; L295-W316 HydrophobicContact CD2-CH2 3.56Å; L295-W316 HydrophobicContact CD2-CZ2 4.14Å; L295-W316 HydrophobicContact CD2-CZ3 4.44Å; L295-W316 HydrophobicContact CG-CH2 3.57Å; L295-W316 HydrophobicContact CG-CZ2 4.26Å; L295-W316 HydrophobicContact CG-CZ3 4.05Å; N296-W316 HydrophobicContact CB-CE3 4.45Å; N296-W316 HydrophobicContact CB-CZ3 4.29Å; N296-W316 PolarHBondContact ND2-O 2.73Å; M299-W316 HydrophobicContact CB-CB 3.88Å; M299-W316 HydrophobicContact CB-CD2 3.52Å; M299-W316 HydrophobicContact CB-CE3 3.76Å; M299-W316 HydrophobicContact CB-CG 3.57Å; M299-W316 HydrophobicContact CB-CZ3 4.47Å; M299-W316 HydrophobicContact CE-CG 4.42Å; M299-W316 HydrophobicContact CG-CD2 3.71Å; M299-W316 HydrophobicContact CG-CE3 4.02Å; M299-W316 HydrophobicContact CG-CG 4.09Å; M299-W316 HydrophobicContact CG-CH2 4.36Å; M299-W316 HydrophobicContact CG-CZ2 4.09Å; M299-W316 HydrophobicContact CG-CZ3 4.32Å; N300-W316 PolarHBondContact ND2-O 3.1Å; N300-W316 WeakPolarHBondContact OD1-CB 3.23Å; N300-W316 PolarHBondContact OD1-N 3.24Å; W316-G318 VanDerWaalsContact C-N 3.26Å; W316-G318 PolarHBondContact O-N 3.41Å
317	G	94.8	Very high	96.2	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	1.4	-177.4	0	0	0	0	0	114.9	G110 H291 T315 Q319 A320	G110-G317 PolarHBondContact O-N 2.79Å; H291-G317 VanDerWaalsContact CD2-CA 3.42Å; H291-G317 WeakPolarHBondContact CD2-CA 3.37Å; H291-G317 WeakPolarHBondContact NE2-CA 3.38Å; T315-G317 PolarHBondContact O-N 3.21Å; G317-Q319 PolarHBondContact O-N 2.88Å; G317-A320 PolarHBondContact O-N 3.38Å
318	G	94.1	Very high	96.2	Very high	54 Å²	54	45.7 Å²	45.7	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	-172.8	0	0	0	0	0	115.5	T315 W316	T315-G318 PolarHBondContact O-N 3.21Å; W316-G318 VanDerWaalsContact C-N 3.26Å; W316-G318 PolarHBondContact O-N 3.41Å
319	Q	96.3	Very high	96.2	Very high	53 Å²	53	43.4 Å²	43.4	25%	0.248	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	10.3	177.6	-65.3	-177	-19.5	0	0	112.6	G108 T114 F120 G317 E321 D322 V323	G108-Q319 CarbonylContact O-C 3.56Å; G108-Q319 WeakPolarHBondContact O-CB 3.27Å; T114-Q319 PolarHBondContact O-NE2 3.25Å; T114-Q319 VanDerWaalsContact O-NE2 3.09Å; F120-Q319 HydrophobicContact CE1-CB 3.91Å; F120-Q319 HydrophobicContact CZ-CB 4.07Å; F120-Q319 HydrophobicContact CZ-CG 4.28Å; G317-Q319 PolarHBondContact O-N 2.88Å; Q319-E321 PolarHBondContact O-N 3.38Å; Q319-D322 WeakPolarHBondContact O-CB 3.34Å; Q319-D322 PolarHBondContact O-N 3.3Å; Q319-V323 PolarHBondContact O-N 3.44Å; Q319-V323 VanDerWaalsContact O-N 3.11Å
320	A	94.7	Very high	96.2	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-34.8	-172.7	0	0	0	0	0	113.2	G68 I287 G317 D322 V323 F324	G68-A320 WeakPolarHBondContact O-CB 3.28Å; I287-A320 HydrophobicContact CG2-CB 3.62Å; G317-A320 PolarHBondContact O-N 3.38Å; A320-D322 VanDerWaalsContact C-N 3.35Å; A320-V323 WeakPolarHBondContact O-CB 3.36Å; A320-V323 PolarHBondContact O-N 2.89Å; A320-F324 PolarHBondContact O-N 2.89Å
321	E	93.6	Very high	96.2	Very high	68 Å²	68	41 Å²	41	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-69.2	-33.3	175.5	-61.1	-173.2	177.5	0	0	112.1	A283 H284 R288 Q319 F324 S325	A283-E321 HydrophobicContact CB-CB 4.19Å; A283-E321 HydrophobicContact CB-CG 4.07Å; H284-E321 IonicContact CD2-OE1 3.96Å; R288-E321 IonicContact CZ-OE1 3.27Å; R288-E321 IonicContact NE-OE1 3.88Å; R288-E321 PolarHBondContact NE-OE1 2.94Å; R288-E321 IonicContact NH2-OE1 3.3Å; R288-E321 PolarHBondContact NH2-OE1 3.33Å; R288-E321 IonicContact NH2-OE2 3.34Å; Q319-E321 PolarHBondContact O-N 3.38Å; E321-F324 PolarHBondContact O-N 2.99Å; E321-S325 WeakPolarHBondContact O-CB 3.09Å; E321-S325 PolarHBondContact O-N 3.2Å; E321-S325 PolarHBondContact O-OG 3.14Å
322	D	95.6	Very high	96.3	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-66.8	-39	174.4	-67	-51.4	0	0	0	111	F120 Q319 A320 S325 N326	F120-D322 HydrophobicContact CD1-CB 4.36Å; F120-D322 HydrophobicContact CD2-CB 4.28Å; F120-D322 HydrophobicContact CE1-CB 3.79Å; F120-D322 HydrophobicContact CE2-CB 3.69Å; F120-D322 HydrophobicContact CZ-CB 3.41Å; F120-D322 VanDerWaalsContact CZ-CB 3.41Å; Q319-D322 WeakPolarHBondContact O-CB 3.34Å; Q319-D322 PolarHBondContact O-N 3.3Å; A320-D322 VanDerWaalsContact C-N 3.35Å; D322-S325 PolarHBondContact O-N 3.3Å; D322-N326 WeakPolarHBondContact O-CB 3.22Å; D322-N326 PolarHBondContact O-N 3.1Å; D322-N326 PolarHBondContact O-ND2 3.21Å
323	V	97.1	Very high	96.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-52.6	172.9	171.1	0	0	0	0	110.3	P67 P106 V107 F120 Q319 A320 S325 N326 M327	P67-V323 HydrophobicContact CB-CG1 4.13Å; P106-V323 HydrophobicContact CG-CG1 3.45Å; P106-V323 VanDerWaalsContact CG-CG1 3.45Å; V107-V323 WeakPolarHBondContact O-CG2 3.42Å; F120-V323 HydrophobicContact CD1-CG2 3.92Å; F120-V323 HydrophobicContact CE1-CG2 4.16Å; Q319-V323 PolarHBondContact O-N 3.44Å; Q319-V323 VanDerWaalsContact O-N 3.11Å; A320-V323 WeakPolarHBondContact O-CB 3.36Å; A320-V323 PolarHBondContact O-N 2.89Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-S325 PolarHBondContact O-N 3.43Å; V323-N326 PolarHBondContact O-N 3.26Å; V323-M327 HydrophobicContact CG1-SD 4.44Å; V323-M327 WeakPolarHBondContact O-CB 3.35Å; V323-M327 WeakPolarHBondContact O-CG 3.47Å; V323-M327 PolarHBondContact O-N 3.2Å
324	F	95.8	Very high	96.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-47.6	179.4	-170.9	-88.1	0	0	0	111.5	P67 I279 Q282 A283 I287 A320 E321 N326 M327 A328 F331	P67-F324 HydrophobicContact CG-CD2 4.12Å; I279-F324 HydrophobicContact CG2-CD1 4.12Å; I279-F324 HydrophobicContact CG2-CE1 4.28Å; Q282-F324 HydrophobicContact CB-CD1 4.43Å; Q282-F324 HydrophobicContact CB-CE1 3.45Å; Q282-F324 VanDerWaalsContact CB-CE1 3.45Å; Q282-F324 HydrophobicContact CB-CZ 3.64Å; Q282-F324 HydrophobicContact CG-CE1 4.41Å; Q282-F324 HydrophobicContact CG-CZ 4.5Å; A283-F324 HydrophobicContact CB-CB 4.5Å; A283-F324 HydrophobicContact CB-CD1 4.24Å; A283-F324 HydrophobicContact CB-CG 4.49Å; I287-F324 HydrophobicContact CD1-CD2 3.9Å; I287-F324 HydrophobicContact CG1-CB 4.01Å; I287-F324 HydrophobicContact CG1-CD2 3.87Å; I287-F324 HydrophobicContact CG1-CG 4.1Å; A320-F324 PolarHBondContact O-N 2.89Å; E321-F324 PolarHBondContact O-N 2.99Å; F324-N326 PolarHBondContact O-N 3Å; F324-M327 CarbonylContact O-C 3.29Å; F324-M327 PolarHBondContact O-N 3.21Å; F324-M327 VanDerWaalsContact O-N 3.16Å; F324-A328 PolarHBondContact O-N 3.22Å; F324-F331 HydrophobicContact CE2-CD2 4.15Å; F324-F331 HydrophobicContact CE2-CE2 4.06Å; F324-F331 HydrophobicContact CZ-CD2 4.42Å; F324-F331 HydrophobicContact CZ-CE2 4.45Å
325	S	94.9	Very high	96.6	Very high	48 Å²	48	32.2 Å²	32.2	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-41.9	-177.8	-59.6	0	0	0	0	112.7	E321 D322 V323 M327 A328	E321-S325 WeakPolarHBondContact O-CB 3.09Å; E321-S325 PolarHBondContact O-N 3.2Å; E321-S325 PolarHBondContact O-OG 3.14Å; D322-S325 PolarHBondContact O-N 3.3Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-S325 PolarHBondContact O-N 3.43Å; S325-M327 VanDerWaalsContact C-N 3.33Å; S325-A328 WeakPolarHBondContact O-CB 3.42Å; S325-A328 PolarHBondContact O-N 3.14Å
326	N	96.9	Very high	96.7	Very high	60 Å²	60	29.7 Å²	29.7	32%	0.321	18%	0.177	S	C	.	.	H	α-helix	trans	-72.4	-27.4	178.5	-79.2	-84.2	0	0	0	112.8	F120 T122 D322 V323 F324	F120-N326 HydrophobicContact CB-CB 3.84Å; T122-N326 WeakPolarHBondContact CA-O 3.11Å; T122-N326 HydrophobicContact CG2-CB 4.45Å; D322-N326 WeakPolarHBondContact O-CB 3.22Å; D322-N326 PolarHBondContact O-N 3.1Å; D322-N326 PolarHBondContact O-ND2 3.21Å; V323-N326 PolarHBondContact O-N 3.26Å; F324-N326 PolarHBondContact O-N 3Å
327	M	97.4	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-90.7	-1.8	176.8	-65.6	-159.3	78.8	0	0	114.1	P67 P106 A121 V124 V127 Y157 V323 F324 S325 G329 D330 F331	P67-M327 HydrophobicContact CB-CB 4.44Å; P67-M327 HydrophobicContact CB-SD 3.66Å; P67-M327 HydrophobicContact CG-CB 3.69Å; P67-M327 HydrophobicContact CG-CG 4.29Å; P67-M327 HydrophobicContact CG-SD 3.93Å; P106-M327 HydrophobicContact CG-SD 3.97Å; A121-M327 VanDerWaalsContact O-CG 3.32Å; A121-M327 WeakPolarHBondContact O-CG 3.29Å; V124-M327 HydrophobicContact CG1-CE 4.49Å; V127-M327 HydrophobicContact CG2-CE 3.91Å; V127-M327 HydrophobicContact CG2-SD 4.37Å; Y157-M327 HydrophobicContact CE1-CE 3.65Å; Y157-M327 HydrophobicContact CE1-SD 4.11Å; Y157-M327 VanDerWaalsContact OH-CE 3.26Å; Y157-M327 WeakPolarHBondContact OH-CE 3.4Å; V323-M327 HydrophobicContact CG1-SD 4.44Å; V323-M327 WeakPolarHBondContact O-CB 3.35Å; V323-M327 WeakPolarHBondContact O-CG 3.47Å; V323-M327 PolarHBondContact O-N 3.2Å; F324-M327 CarbonylContact O-C 3.29Å; F324-M327 PolarHBondContact O-N 3.21Å; F324-M327 VanDerWaalsContact O-N 3.16Å; S325-M327 VanDerWaalsContact C-N 3.33Å; M327-G329 PolarHBondContact O-N 3.25Å; M327-G329 VanDerWaalsContact O-N 3.08Å; M327-D330 WeakPolarHBondContact O-CA 3.42Å; M327-D330 WeakPolarHBondContact O-CB 3.48Å; M327-D330 PolarHBondContact O-N 2.88Å; M327-F331 PolarHBondContact O-N 2.96Å
328	A	96.4	Very high	96.9	Very high	1 Å²	1	34 Å²	34	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-30.5	-177.7	0	0	0	0	0	113.6	L236 T239 I279 F324 S325 D330	L236-A328 HydrophobicContact CD1-CB 3.64Å; T239-A328 WeakPolarHBondContact CB-O 3.43Å; T239-A328 HydrophobicContact CG2-CB 4.28Å; T239-A328 PolarHBondContact OG1-O 2.94Å; I279-A328 HydrophobicContact CD1-CB 3.8Å; I279-A328 HydrophobicContact CG1-CB 4.29Å; I279-A328 HydrophobicContact CG2-CB 4.12Å; F324-A328 PolarHBondContact O-N 3.22Å; S325-A328 WeakPolarHBondContact O-CB 3.42Å; S325-A328 PolarHBondContact O-N 3.14Å; A328-D330 VanDerWaalsContact C-N 3.33Å
329	G	97.1	Very high	97.1	Very high	24 Å²	24	31.4 Å²	31.4	25%	0.247	17%	0.17	C	C	.	.	H	α-helix	trans	-76.2	-14.4	175	0	0	0	0	0	115.2	F235 M327 R333	F235-G329 VanDerWaalsContact CB-O 3.29Å; F235-G329 WeakPolarHBondContact CB-O 3.43Å; M327-G329 PolarHBondContact O-N 3.25Å; M327-G329 VanDerWaalsContact O-N 3.08Å; G329-R333 PolarHBondContact O-NE 2.79Å
330	D	98.3	Very high	97.2	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-95.7	-28.7	171.5	-172.2	-51.1	0	0	0	111.1	N123 V124 Y157 K160 M327 A328 M332 R333	N123-D330 WeakPolarHBondContact CA-OD2 3.24Å; N123-D330 HydrophobicContact CB-CB 4.46Å; N123-D330 VanDerWaalsContact CB-OD2 3.28Å; N123-D330 WeakPolarHBondContact CB-OD2 3.34Å; V124-D330 PolarHBondContact N-OD2 3.2Å; Y157-D330 PolarHBondContact OH-OD1 3.33Å; K160-D330 PolarHBondContact NZ-O 2.9Å; K160-D330 IonicContact NZ-OD1 3.8Å; M327-D330 WeakPolarHBondContact O-CA 3.42Å; M327-D330 WeakPolarHBondContact O-CB 3.48Å; M327-D330 PolarHBondContact O-N 2.88Å; A328-D330 VanDerWaalsContact C-N 3.33Å; D330-M332 VanDerWaalsContact C-N 3.3Å; D330-M332 PolarHBondContact O-N 2.74Å; D330-R333 WeakPolarHBondContact O-CB 3.45Å; D330-R333 PolarHBondContact O-N 3.16Å
331	F	97.9	Very high	97.4	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-48.2	-42.6	-171	-170.1	-97.5	0	0	0	115.4	Y157 K160 W191 T239 W242 F324 M327	Y157-F331 AromaticContact CD2-CD2 3.76Å; Y157-F331 HydrophobicContact CD2-CD2 3.76Å; Y157-F331 AromaticContact CD2-CE2 4Å; Y157-F331 HydrophobicContact CD2-CE2 4Å; Y157-F331 AromaticContact CE2-CD2 3.93Å; Y157-F331 HydrophobicContact CE2-CD2 3.93Å; K160-F331 PolarHBondContact NZ-O 2.85Å; W191-F331 AromaticContact CE2-CE1 3.8Å; W191-F331 AromaticContact CE2-CZ 3.84Å; W191-F331 AromaticContact CZ2-CE1 3.87Å; W191-F331 HydrophobicContact CZ2-CE1 3.87Å; W191-F331 HydrophobicContact CZ2-CZ 4.19Å; W191-F331 AromaticContact NE1-CD1 3.73Å; W191-F331 AromaticContact NE1-CE1 3.34Å; W191-F331 VanDerWaalsContact NE1-CE1 3.34Å; W191-F331 AromaticContact NE1-CE2 3.81Å; W191-F331 AromaticContact NE1-CZ 3.39Å; W191-F331 PolarHBondContact NE1-O 3.07Å; W191-F331 VanDerWaalsContact NE1-O 3.09Å; T239-F331 HydrophobicContact CG2-CB 4.02Å; T239-F331 HydrophobicContact CG2-CD1 3.94Å; T239-F331 HydrophobicContact CG2-CG 4.25Å; W242-F331 AromaticContact CD2-CE1 3.85Å; W242-F331 HydrophobicContact CD2-CE1 3.85Å; W242-F331 AromaticContact CE2-CE1 3.92Å; W242-F331 AromaticContact CE3-CE1 3.84Å; W242-F331 HydrophobicContact CE3-CE1 3.84Å; W242-F331 HydrophobicContact CH2-CE1 4.01Å; W242-F331 AromaticContact CH2-CZ 3.92Å; W242-F331 HydrophobicContact CH2-CZ 3.92Å; W242-F331 HydrophobicContact CZ2-CE1 4.04Å; W242-F331 HydrophobicContact CZ2-CZ 4.08Å; W242-F331 AromaticContact CZ3-CE1 3.91Å; W242-F331 HydrophobicContact CZ3-CE1 3.91Å; W242-F331 HydrophobicContact CZ3-CZ 4.15Å; F324-F331 HydrophobicContact CE2-CD2 4.15Å; F324-F331 HydrophobicContact CE2-CE2 4.06Å; F324-F331 HydrophobicContact CZ-CD2 4.42Å; F324-F331 HydrophobicContact CZ-CE2 4.45Å; M327-F331 PolarHBondContact O-N 2.96Å
332	M	98.3	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.1	177.8	-69.4	-56.7	-62.7	0	0	115.5	W191 P194 V198 V226 V230 A238 T239 W242 D330	W191-M332 HydrophobicContact CZ2-SD 4Å; P194-M332 HydrophobicContact CB-CE 3.56Å; P194-M332 HydrophobicContact CB-SD 3.66Å; V198-M332 HydrophobicContact CG2-CE 4.18Å; V226-M332 HydrophobicContact CG1-CE 3.55Å; V230-M332 HydrophobicContact CG2-CB 4.46Å; V230-M332 HydrophobicContact CG2-CE 4.44Å; A238-M332 HydrophobicContact CB-CB 3.76Å; A238-M332 HydrophobicContact CB-CG 3.92Å; T239-M332 WeakPolarHBondContact OG1-CG 3.21Å; W242-M332 HydrophobicContact CB-SD 4.16Å; W242-M332 HydrophobicContact CG-SD 4.13Å; D330-M332 VanDerWaalsContact C-N 3.3Å; D330-M332 PolarHBondContact O-N 2.74Å
333	R	98.4	Very high	97.8	Very high	111 Å²	111	27 Å²	27	42%	0.419	15%	0.147	S	C	.	.			trans	-76.9	126.9	174.4	-66	-179.3	-173.8	-96.3	-0.7	110.6	K160 F235 G329 D330	K160-R333 WeakPolarHBondContact CE-O 3.32Å; K160-R333 PolarHBondContact NZ-O 2.93Å; F235-R333 HydrophobicContact CB-CG 3.95Å; F235-R333 HydrophobicContact CD1-CB 4.22Å; F235-R333 HydrophobicContact CD1-CG 3.44Å; F235-R333 VanDerWaalsContact CD1-CG 3.44Å; F235-R333 HydrophobicContact CD2-CG 3.74Å; F235-R333 HydrophobicContact CE1-CB 4.28Å; F235-R333 HydrophobicContact CE1-CG 3.75Å; F235-R333 HydrophobicContact CE2-CG 4.01Å; F235-R333 HydrophobicContact CG-CG 3.41Å; F235-R333 VanDerWaalsContact CG-CG 3.41Å; F235-R333 HydrophobicContact CZ-CG 4.01Å; G329-R333 PolarHBondContact O-NE 2.79Å; D330-R333 WeakPolarHBondContact O-CB 3.45Å; D330-R333 PolarHBondContact O-N 3.16Å
334	P	97.9	Very high	97.9	Very high	64 Å²	64	31.9 Å²	31.9	42%	0.416	18%	0.177	S	C	.	.			trans	-71.3	151	173.8	30.9	-34.6	0	0	0	110.9	I192 V336	I192-P334 WeakPolarHBondContact O-CA 3.14Å; P334-V336 HydrophobicContact CB-CG2 4.5Å
335	V	98.1	Very high	97.9	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.036	20%	0.202	C	C	.	.			trans	-127	24.9	174.4	-63.3	0	0	0	0	112.2	V124 K160 I192 D337 I338 V339	V124-V335 HydrophobicContact CG2-CG1 4.4Å; K160-V335 HydrophobicContact CB-CG2 3.95Å; K160-V335 HydrophobicContact CD-CG1 4.2Å; K160-V335 HydrophobicContact CD-CG2 4.03Å; K160-V335 HydrophobicContact CG-CG2 3.66Å; I192-V335 HydrophobicContact CD1-CG2 3.93Å; I192-V335 HydrophobicContact CG2-CG2 4.17Å; I192-V335 PolarHBondContact O-N 2.79Å; V335-D337 PolarHBondContact O-N 3.32Å; V335-I338 HydrophobicContact CB-CB 4.44Å; V335-I338 HydrophobicContact CB-CD1 4.01Å; V335-I338 HydrophobicContact CB-CG1 4.24Å; V335-I338 HydrophobicContact CG1-CD1 4.08Å; V335-I338 WeakPolarHBondContact O-CB 3.32Å; V335-I338 PolarHBondContact O-N 3.44Å; V335-V339 PolarHBondContact O-N 3.27Å
336	V	98.4	Very high	98.1	Very high	23 Å²	23	35 Å²	35	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-57.2	-36	177.6	-178	0	0	0	0	111.2	I192 P334 I338 V339 D340 W368 L372	I192-V336 HydrophobicContact CG2-CB 4.5Å; I192-V336 HydrophobicContact CG2-CG2 3.94Å; P334-V336 HydrophobicContact CB-CG2 4.5Å; V336-I338 VanDerWaalsContact C-N 3.27Å; V336-I338 PolarHBondContact O-N 3.46Å; V336-V339 WeakPolarHBondContact O-CA 3.31Å; V336-V339 WeakPolarHBondContact O-CB 3.36Å; V336-V339 PolarHBondContact O-N 3.42Å; V336-D340 PolarHBondContact O-N 2.77Å; V336-W368 HydrophobicContact CG1-CE3 4.14Å; V336-W368 HydrophobicContact CG2-CB 4.06Å; V336-W368 HydrophobicContact CG2-CE3 4.48Å; V336-L372 HydrophobicContact CG1-CD2 4.25Å
337	D	98.4	Very high	98.2	Very high	87 Å²	87	32.9 Å²	32.9	47%	0.465	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-26.6	177.6	68.2	-45	0	0	0	113.5	V335 Q341	V335-D337 PolarHBondContact O-N 3.32Å; D337-Q341 VanDerWaalsContact O-CG 3.31Å; D337-Q341 WeakPolarHBondContact O-CG 3.06Å; D337-Q341 PolarHBondContact O-N 2.8Å; D337-Q341 VanDerWaalsContact O-N 3.15Å; D337-Q341 PolarHBondContact O-NE2 3.09Å
338	I	98.8	Very high	98.2	Very high	22 Å²	22	36.1 Å²	36.1	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-39.7	171.7	-60.2	-173.9	0	0	0	109.7	A163 A164 L167 V335 V336 Q341 L342	A163-I338 HydrophobicContact CB-CG2 3.92Å; A163-I338 WeakPolarHBondContact O-CG2 3.36Å; A164-I338 HydrophobicContact CB-CD1 4.08Å; L167-I338 HydrophobicContact CB-CG2 4.03Å; L167-I338 HydrophobicContact CD2-CG2 3.93Å; V335-I338 HydrophobicContact CB-CB 4.44Å; V335-I338 HydrophobicContact CB-CD1 4.01Å; V335-I338 HydrophobicContact CB-CG1 4.24Å; V335-I338 HydrophobicContact CG1-CD1 4.08Å; V335-I338 WeakPolarHBondContact O-CB 3.32Å; V335-I338 PolarHBondContact O-N 3.44Å; V336-I338 VanDerWaalsContact C-N 3.27Å; V336-I338 PolarHBondContact O-N 3.46Å; I338-Q341 PolarHBondContact O-N 3.13Å; I338-L342 HydrophobicContact CG2-CD1 4.42Å; I338-L342 WeakPolarHBondContact O-CG 3.27Å; I338-L342 PolarHBondContact O-N 2.89Å
339	V	98.8	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-41.4	175.9	-175.1	0	0	0	0	111	A163 L187 I192 V335 V336 Q341 L342 L343 V349 W368 L372	A163-V339 HydrophobicContact CB-CG2 4.49Å; L187-V339 HydrophobicContact CD1-CG2 4.18Å; I192-V339 HydrophobicContact CG2-CG2 3.93Å; V335-V339 PolarHBondContact O-N 3.27Å; V336-V339 WeakPolarHBondContact O-CA 3.31Å; V336-V339 WeakPolarHBondContact O-CB 3.36Å; V336-V339 PolarHBondContact O-N 3.42Å; V339-Q341 VanDerWaalsContact C-N 3.32Å; V339-Q341 PolarHBondContact O-N 2.79Å; V339-L342 PolarHBondContact O-N 3.49Å; V339-L343 HydrophobicContact CG1-CD1 4.2Å; V339-L343 WeakPolarHBondContact O-CG 3.24Å; V339-L343 PolarHBondContact O-N 3.03Å; V339-V349 HydrophobicContact CG1-CG1 4.12Å; V339-W368 HydrophobicContact CB-CZ3 4.4Å; V339-W368 HydrophobicContact CG1-CH2 4.38Å; V339-W368 HydrophobicContact CG1-CZ3 4.06Å; V339-W368 HydrophobicContact CG2-CZ3 4.43Å; V339-L372 HydrophobicContact CB-CD2 4.2Å; V339-L372 HydrophobicContact CG1-CD2 3.9Å
340	D	98.7	Very high	98.4	Very high	16 Å²	16	35.5 Å²	35.5	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-53.7	-50	171.5	-70.1	-25.2	0	0	0	111.1	V336 L342 L343 T344 L372 K373	V336-D340 PolarHBondContact O-N 2.77Å; D340-L342 PolarHBondContact O-N 3.36Å; D340-L343 PolarHBondContact O-N 3.48Å; D340-T344 WeakPolarHBondContact O-CB 3.42Å; D340-T344 PolarHBondContact O-N 2.83Å; D340-T344 PolarHBondContact O-OG1 3.21Å; D340-T344 VanDerWaalsContact O-OG1 3.12Å; D340-L372 WeakPolarHBondContact OD1-CA 3.41Å; D340-L372 WeakPolarHBondContact OD1-CD2 3.28Å; D340-K373 HydrophobicContact CB-CB 4.44Å; D340-K373 PolarHBondContact OD1-N 3.39Å; D340-K373 WeakPolarHBondContact OD2-CB 3.34Å
341	Q	98.8	Very high	98.5	Very high	86 Å²	86	35.3 Å²	35.3	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-63.2	-40.4	-179.6	-75.1	171	80	0	0	112.9	L167 D337 I338 V339 T344 A345	L167-Q341 HydrophobicContact CD1-CB 3.93Å; L167-Q341 HydrophobicContact CD2-CB 4.08Å; D337-Q341 VanDerWaalsContact O-CG 3.31Å; D337-Q341 WeakPolarHBondContact O-CG 3.06Å; D337-Q341 PolarHBondContact O-N 2.8Å; D337-Q341 VanDerWaalsContact O-N 3.15Å; D337-Q341 PolarHBondContact O-NE2 3.09Å; I338-Q341 PolarHBondContact O-N 3.13Å; V339-Q341 VanDerWaalsContact C-N 3.32Å; V339-Q341 PolarHBondContact O-N 2.79Å; Q341-T344 PolarHBondContact O-N 2.99Å; Q341-A345 VanDerWaalsContact O-CB 3.25Å; Q341-A345 WeakPolarHBondContact O-CB 3.49Å; Q341-A345 PolarHBondContact O-N 3.24Å
342	L	98.8	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-48.8	175.5	-76.2	169.7	0	0	0	111.3	A163 L167 V185 I338 V339 D340 T344 A345 G346 V347 V349	A163-L342 HydrophobicContact CB-CD1 4.2Å; L167-L342 HydrophobicContact CB-CD2 3.99Å; L167-L342 HydrophobicContact CB-CG 4.32Å; L167-L342 HydrophobicContact CD1-CD2 4.39Å; V185-L342 HydrophobicContact CG1-CD1 4.14Å; I338-L342 HydrophobicContact CG2-CD1 4.42Å; I338-L342 WeakPolarHBondContact O-CG 3.27Å; I338-L342 PolarHBondContact O-N 2.89Å; V339-L342 PolarHBondContact O-N 3.49Å; D340-L342 PolarHBondContact O-N 3.36Å; L342-T344 PolarHBondContact O-N 2.95Å; L342-A345 PolarHBondContact O-N 3.16Å; L342-G346 PolarHBondContact O-N 3.13Å; L342-V347 HydrophobicContact CB-CB 4.32Å; L342-V347 HydrophobicContact CD2-CB 4.11Å; L342-V347 HydrophobicContact CD2-CG1 4.14Å; L342-V347 HydrophobicContact CD2-CG2 3.97Å; L342-V347 WeakPolarHBondContact O-CB 3.25Å; L342-V347 PolarHBondContact O-N 3.05Å; L342-V349 HydrophobicContact CB-CG2 3.8Å; L342-V349 HydrophobicContact CD1-CG2 4.36Å
343	L	98.8	Very high	98.5	Very high	3 Å²	3	35 Å²	35	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-41.7	179.6	-74	172.9	0	0	0	111.9	V339 D340 A345 G346 V349 L372 W374 N406 F407	V339-L343 HydrophobicContact CG1-CD1 4.2Å; V339-L343 WeakPolarHBondContact O-CG 3.24Å; V339-L343 PolarHBondContact O-N 3.03Å; D340-L343 PolarHBondContact O-N 3.48Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-G346 PolarHBondContact O-N 2.91Å; L343-G346 VanDerWaalsContact O-N 3.17Å; L343-V349 HydrophobicContact CD2-CB 3.85Å; L343-V349 HydrophobicContact CD2-CG2 3.87Å; L343-V349 HydrophobicContact CG-CB 4.34Å; L343-V349 HydrophobicContact CG-CG2 4.05Å; L343-L372 HydrophobicContact CD1-CD1 3.98Å; L343-L372 HydrophobicContact CD1-CD2 4.28Å; L343-W374 HydrophobicContact CB-CB 4.2Å; L343-W374 HydrophobicContact CB-CG 3.88Å; L343-W374 HydrophobicContact CD1-CB 3.89Å; L343-W374 HydrophobicContact CD1-CD2 4.13Å; L343-W374 HydrophobicContact CD1-CE3 4.47Å; L343-W374 HydrophobicContact CD1-CG 3.89Å; L343-W374 HydrophobicContact CG-CG 4.4Å; L343-N406 WeakPolarHBondContact CA-ND2 3.41Å; L343-N406 PolarHBondContact O-ND2 3.47Å; L343-F407 HydrophobicContact CD1-CD2 4.19Å; L343-F407 HydrophobicContact CD2-CB 3.84Å; L343-F407 HydrophobicContact CD2-CD2 4.01Å; L343-F407 HydrophobicContact CD2-CG 4.32Å
344	T	98.3	Very high	98.5	Very high	106 Å²	106	29.8 Å²	29.8	65%	0.65	19%	0.186	S	C	*	.	H	α-helix	trans	-64.8	-34.8	174.2	-63.2	0	0	0	0	112.4	D340 Q341 L342 G346	D340-T344 WeakPolarHBondContact O-CB 3.42Å; D340-T344 PolarHBondContact O-N 2.83Å; D340-T344 PolarHBondContact O-OG1 3.21Å; D340-T344 VanDerWaalsContact O-OG1 3.12Å; Q341-T344 PolarHBondContact O-N 2.99Å; L342-T344 PolarHBondContact O-N 2.95Å; T344-G346 PolarHBondContact O-N 2.92Å
345	A	97.6	Very high	98.5	Very high	65 Å²	65	30.6 Å²	30.6	54%	0.537	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2	175.8	0	0	0	0	0	113.5	Q341 L342 L343 V347	Q341-A345 VanDerWaalsContact O-CB 3.25Å; Q341-A345 WeakPolarHBondContact O-CB 3.49Å; Q341-A345 PolarHBondContact O-N 3.24Å; L342-A345 PolarHBondContact O-N 3.16Å; L343-A345 VanDerWaalsContact C-N 3.32Å; A345-V347 VanDerWaalsContact C-N 3.31Å; A345-V347 HydrophobicContact CB-CG2 4.38Å
346	G	98	Very high	98.5	Very high	49 Å²	49	31.2 Å²	31.2	51%	0.505	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	13.6	-179.5	0	0	0	0	0	114	L342 L343 T344	L342-G346 PolarHBondContact O-N 3.13Å; L343-G346 PolarHBondContact O-N 2.91Å; L343-G346 VanDerWaalsContact O-N 3.17Å; T344-G346 PolarHBondContact O-N 2.92Å
347	V	98.6	Very high	98.5	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.097	18%	0.181	C	C	.	.			trans	-69.9	137.4	173.2	-179.7	0	0	0	0	108.6	F182 L342 A345 V349 N406	F182-V347 HydrophobicContact CE1-CG1 3.82Å; F182-V347 HydrophobicContact CE1-CG2 4.43Å; F182-V347 HydrophobicContact CZ-CG1 4.24Å; L342-V347 HydrophobicContact CB-CB 4.32Å; L342-V347 HydrophobicContact CD2-CB 4.11Å; L342-V347 HydrophobicContact CD2-CG1 4.14Å; L342-V347 HydrophobicContact CD2-CG2 3.97Å; L342-V347 WeakPolarHBondContact O-CB 3.25Å; L342-V347 PolarHBondContact O-N 3.05Å; A345-V347 VanDerWaalsContact C-N 3.31Å; A345-V347 HydrophobicContact CB-CG2 4.38Å; V347-V349 PolarHBondContact O-N 3.34Å; V347-N406 PolarHBondContact O-ND2 3.4Å
348	N	98.8	Very high	98.5	Very high	69 Å²	69	26 Å²	26	37%	0.369	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119.1	170.9	-62.3	-46.5	0	0	0	109.2	A183 G184 V185 N406	A183-N348 WeakPolarHBondContact O-CB 3.46Å; A183-N348 PolarHBondContact O-ND2 3.13Å; G184-N348 CarbonylContact C-O 3.54Å; G184-N348 WeakPolarHBondContact CA-O 3.44Å; V185-N348 PolarHBondContact N-O 3.2Å; N348-N406 WeakPolarHBondContact CA-O 3.4Å
349	V	98.9	Very high	98.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.2	176.6	-179.3	0	0	0	0	108.7	V185 L187 V339 L342 L343 V347 N406 F407 A408	V185-V349 HydrophobicContact CG1-CB 4.38Å; V185-V349 HydrophobicContact CG1-CG1 4.31Å; V185-V349 HydrophobicContact CG1-CG2 3.94Å; V185-V349 WeakPolarHBondContact O-CA 3.44Å; L187-V349 HydrophobicContact CD1-CG1 3.99Å; V339-V349 HydrophobicContact CG1-CG1 4.12Å; L342-V349 HydrophobicContact CB-CG2 3.8Å; L342-V349 HydrophobicContact CD1-CG2 4.36Å; L343-V349 HydrophobicContact CD2-CB 3.85Å; L343-V349 HydrophobicContact CD2-CG2 3.87Å; L343-V349 HydrophobicContact CG-CB 4.34Å; L343-V349 HydrophobicContact CG-CG2 4.05Å; V347-V349 PolarHBondContact O-N 3.34Å; V349-N406 PolarHBondContact N-O 3.3Å; V349-F407 HydrophobicContact CB-CD2 4.21Å; V349-F407 HydrophobicContact CG1-CD2 4.27Å; V349-F407 HydrophobicContact CG1-CE2 4.28Å; V349-F407 WeakPolarHBondContact O-CA 3.41Å; V349-F407 WeakPolarHBondContact O-CD2 3.34Å; V349-A408 PolarHBondContact O-N 3.13Å
350	T	98.9	Very high	98.4	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.067	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.3	170.4	-59.7	0	0	0	0	109.4	V185 A186 L187 A408 Y410 I434	V185-T350 PolarHBondContact O-N 3.11Å; A186-T350 CarbonylContact C-O 3.54Å; A186-T350 WeakPolarHBondContact CA-O 3.14Å; L187-T350 PolarHBondContact N-O 2.71Å; T350-A408 CarbonylContact C-O 3.59Å; T350-A408 WeakPolarHBondContact CA-O 3.42Å; T350-A408 HydrophobicContact CG2-CB 4.13Å; T350-Y410 HydrophobicContact CG2-CD2 3.61Å; T350-Y410 HydrophobicContact CG2-CE2 3.58Å; T350-I434 HydrophobicContact CG2-CD1 3.65Å; T350-I434 HydrophobicContact CG2-CG1 4.02Å
351	V	98.8	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.4	164.3	179.2	0	0	0	0	107.7	L187 N353 W368 F407 A408 F409 Y410	L187-V351 HydrophobicContact CB-CG2 4.49Å; L187-V351 HydrophobicContact CD1-CG2 4.46Å; L187-V351 WeakPolarHBondContact O-CA 3.39Å; V351-N353 VanDerWaalsContact CG1-OD1 3.24Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.29Å; V351-W368 HydrophobicContact CG1-CZ2 4.23Å; V351-W368 HydrophobicContact CG2-CH2 3.59Å; V351-W368 HydrophobicContact CG2-CZ2 3.82Å; V351-F407 HydrophobicContact CB-CZ 4.43Å; V351-F407 HydrophobicContact CG2-CE2 3.72Å; V351-F407 HydrophobicContact CG2-CZ 3.92Å; V351-A408 PolarHBondContact N-O 2.86Å; V351-F409 HydrophobicContact CB-CD2 3.82Å; V351-F409 HydrophobicContact CB-CE2 4.09Å; V351-F409 HydrophobicContact CB-CG 4.29Å; V351-F409 HydrophobicContact CG1-CD2 3.75Å; V351-F409 HydrophobicContact CG1-CE2 3.47Å; V351-F409 VanDerWaalsContact CG1-CE2 3.47Å; V351-F409 HydrophobicContact CG1-CZ 3.99Å; V351-F409 CarbonylContact O-C 3.42Å; V351-F409 VanDerWaalsContact O-CA 3.23Å; V351-F409 WeakPolarHBondContact O-CA 3.37Å; V351-F409 WeakPolarHBondContact O-CD2 3.48Å; V351-Y410 PolarHBondContact O-N 3.42Å
352	Y	98.6	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.6	172.1	63.7	-88.5	0	0	0	109.7	F153 S154 A186 L187 G188 D189 Y410 I419 M430	F153-Y352 HydrophobicContact CD1-CE1 4.04Å; F153-Y352 HydrophobicContact CE1-CE1 4.34Å; S154-Y352 PolarHBondContact O-OH 2.85Å; A186-Y352 HydrophobicContact CB-CD1 4.21Å; A186-Y352 HydrophobicContact CB-CE1 3.79Å; L187-Y352 PolarHBondContact O-N 3.35Å; G188-Y352 CarbonylContact C-O 3.51Å; G188-Y352 VanDerWaalsContact CA-CE1 3.43Å; G188-Y352 VanDerWaalsContact CA-O 3.28Å; G188-Y352 WeakPolarHBondContact CA-O 3.4Å; G188-Y352 VanDerWaalsContact N-CE1 3.28Å; D189-Y352 PolarHBondContact N-O 3.21Å; Y352-Y410 WeakPolarHBondContact CA-O 3.35Å; Y352-I419 HydrophobicContact CD2-CD1 3.46Å; Y352-I419 VanDerWaalsContact CD2-CD1 3.46Å; Y352-I419 HydrophobicContact CE2-CD1 3.93Å; Y352-M430 WeakPolarHBondContact CB-SD 3.49Å; Y352-M430 HydrophobicContact CD1-CE 4Å; Y352-M430 HydrophobicContact CD1-SD 4.2Å; Y352-M430 HydrophobicContact CD2-CE 3.55Å; Y352-M430 HydrophobicContact CD2-SD 3.86Å; Y352-M430 HydrophobicContact CE1-CE 4.19Å; Y352-M430 HydrophobicContact CE2-CE 3.79Å; Y352-M430 HydrophobicContact CG-CE 3.67Å; Y352-M430 HydrophobicContact CG-SD 3.59Å; Y352-M430 VanDerWaalsContact CG-SD 3.59Å
353	N	98.5	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.7	-170.4	-85.5	98.4	0	0	0	113.2	D189 V351 Q365 F409 Y410 W411 I412	D189-N353 WeakPolarHBondContact CA-ND2 3.49Å; D189-N353 VanDerWaalsContact OD2-CA 3.26Å; D189-N353 WeakPolarHBondContact OD2-CA 3.29Å; V351-N353 VanDerWaalsContact CG1-OD1 3.24Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.29Å; N353-Q365 WeakPolarHBondContact ND2-CG 3.5Å; N353-F409 HydrophobicContact CB-CE2 4.4Å; N353-Y410 PolarHBondContact N-O 3.17Å; N353-W411 HydrophobicContact CB-CE3 3.5Å; N353-W411 HydrophobicContact CB-CH2 4.36Å; N353-W411 HydrophobicContact CB-CZ3 3.23Å; N353-I412 PolarHBondContact O-N 3.46Å
354	G	98.5	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.5	174.3	0	0	0	0	0	111.1	D189 L356 D357 A415	D189-G354 PolarHBondContact OD1-N 3.43Å; D189-G354 PolarHBondContact OD2-N 2.76Å; D189-G354 VanDerWaalsContact OD2-N 3.14Å; G354-L356 PolarHBondContact O-N 2.95Å; G354-D357 PolarHBondContact O-N 3.35Å; G354-A415 CarbonylContact C-O 3.21Å; G354-A415 VanDerWaalsContact CA-O 3.27Å; G354-A415 WeakPolarHBondContact CA-O 3.41Å
355	Q	97.8	Very high	98	Very high	82 Å²	82	20 Å²	20	38%	0.383	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31	179.3	-179.5	-178.2	27.3	0	0	113.7	Y204 I412 L413 K414 A415	Y204-Q355 PolarHBondContact OH-O 2.66Å; Q355-I412 WeakPolarHBondContact CB-O 3.21Å; Q355-I412 PolarHBondContact N-O 3.26Å; Q355-L413 HydrophobicContact CB-CD2 4.45Å; Q355-L413 HydrophobicContact CG-CD2 4.44Å; Q355-K414 VanDerWaalsContact OE1-N 3.15Å; Q355-A415 PolarHBondContact N-O 2.65Å
356	L	98.3	Very high	98	Very high	19 Å²	19	19.8 Å²	19.8	10%	0.099	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.9	-170.9	-56.8	174.5	0	0	0	112.8	Y204 N260 I261 L262 G354 A415	Y204-L356 WeakPolarHBondContact OH-CA 3.48Å; N260-L356 WeakPolarHBondContact CA-O 3.37Å; I261-L356 HydrophobicContact CD1-CD2 4.19Å; I261-L356 HydrophobicContact CG1-CB 4.14Å; I261-L356 HydrophobicContact CG1-CD2 4.04Å; I261-L356 PolarHBondContact N-O 2.88Å; L262-L356 HydrophobicContact CD1-CD1 3.47Å; L262-L356 VanDerWaalsContact CD1-CD1 3.47Å; L262-L356 HydrophobicContact CD1-CD2 4.17Å; L262-L356 HydrophobicContact CD1-CG 4.45Å; L262-L356 HydrophobicContact CG-CD1 3.88Å; L262-L356 HydrophobicContact CG-CD2 4.11Å; G354-L356 PolarHBondContact O-N 2.95Å; L356-A415 WeakPolarHBondContact CB-O 3.38Å; L356-A415 PolarHBondContact N-O 2.86Å
357	D	98.4	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.			trans	-70.1	133.3	174.4	-173	17.5	0	0	0	110.2	D189 Y204 G354 I359 V360 D361 H417	D189-D357 WeakPolarHBondContact OD1-CB 3.41Å; Y204-D357 WeakPolarHBondContact CE1-O 3.4Å; G354-D357 PolarHBondContact O-N 3.35Å; D357-I359 WeakPolarHBondContact OD1-CG2 3.15Å; D357-I359 PolarHBondContact OD1-N 3.5Å; D357-I359 VanDerWaalsContact OD1-N 3.13Å; D357-V360 WeakPolarHBondContact OD2-CA 3.37Å; D357-V360 WeakPolarHBondContact OD2-CB 3.41Å; D357-V360 PolarHBondContact OD2-N 3.06Å; D357-D361 WeakPolarHBondContact O-CA 3.49Å; D357-H417 HydrophobicContact CB-CB 4.39Å; D357-H417 VanDerWaalsContact CG-ND1 3.33Å; D357-H417 IonicContact OD1-CG 2.76Å; D357-H417 IonicContact OD1-ND1 3.31Å; D357-H417 PolarHBondContact OD1-ND1 2.72Å; D357-H417 IonicContact OD2-CE1 2.87Å; D357-H417 IonicContact OD2-CG 2.79Å; D357-H417 IonicContact OD2-ND1 3.74Å; D357-H417 PolarHBondContact OD2-ND1 3.46Å
358	L	98.2	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-43.7	174.2	173.6	62.7	0	0	0	111.2	W201 Y204 L205 V249 V256 F258 I261 V360 D361	W201-L358 HydrophobicContact CB-CD1 4.27Å; W201-L358 HydrophobicContact CG-CD1 4.18Å; W201-L358 PolarHBondContact NE1-O 3.44Å; Y204-L358 HydrophobicContact CD1-CD1 3.83Å; Y204-L358 HydrophobicContact CE1-CD1 4.35Å; L205-L358 HydrophobicContact CD1-CD1 3.95Å; L205-L358 HydrophobicContact CD1-CD2 4.16Å; L205-L358 HydrophobicContact CD2-CD1 3.83Å; L205-L358 HydrophobicContact CD2-CD2 3.96Å; L205-L358 HydrophobicContact CG-CD1 3.71Å; L205-L358 HydrophobicContact CG-CD2 4.41Å; V249-L358 HydrophobicContact CG1-CD2 4.12Å; V256-L358 HydrophobicContact CG1-CD2 3.66Å; F258-L358 HydrophobicContact CD1-CD2 3.9Å; F258-L358 HydrophobicContact CD1-CG 3.99Å; F258-L358 HydrophobicContact CD2-CD2 4.37Å; F258-L358 HydrophobicContact CE1-CD2 3.92Å; F258-L358 HydrophobicContact CE1-CG 4.13Å; F258-L358 HydrophobicContact CE2-CD2 4.4Å; F258-L358 HydrophobicContact CG-CD2 4.13Å; F258-L358 HydrophobicContact CZ-CD2 4.17Å; F258-L358 WeakPolarHBondContact O-CB 3.29Å; F258-L358 PolarHBondContact O-N 3.08Å; I261-L358 HydrophobicContact CG2-CB 3.68Å; I261-L358 HydrophobicContact CG2-CG 4.48Å; L358-V360 PolarHBondContact O-N 3.31Å; L358-D361 PolarHBondContact O-N 3.39Å
359	I	97.6	Very high	97.9	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.026	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-45.3	-175.7	-175.6	165	0	0	0	109.1	W191 W201 W242 F258 Y259 D357 H417	W191-I359 HydrophobicContact CZ3-CG1 4.31Å; W191-I359 WeakPolarHBondContact CZ3-O 3.34Å; W201-I359 HydrophobicContact CZ2-CG1 4.49Å; W201-I359 PolarHBondContact NE1-O 3.46Å; W201-I359 VanDerWaalsContact NE1-O 3.13Å; W242-I359 HydrophobicContact CH2-CD1 4.44Å; W242-I359 HydrophobicContact CZ2-CD1 3.98Å; W242-I359 HydrophobicContact CZ2-CG1 4.42Å; F258-I359 HydrophobicContact CB-CB 4.33Å; F258-I359 HydrophobicContact CD1-CB 4.21Å; F258-I359 PolarHBondContact O-N 3.33Å; Y259-I359 HydrophobicContact CD1-CG2 3.82Å; Y259-I359 HydrophobicContact CE1-CD1 4.32Å; Y259-I359 HydrophobicContact CE1-CG2 3.96Å; D357-I359 WeakPolarHBondContact OD1-CG2 3.15Å; D357-I359 PolarHBondContact OD1-N 3.5Å; D357-I359 VanDerWaalsContact OD1-N 3.13Å; I359-H417 WeakPolarHBondContact CG2-ND1 3.42Å
360	V	97.9	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	62.8	176.5	-164.4	0	0	0	0	110.6	D189 S190 W191 D357 L358 Q365	D189-V360 VanDerWaalsContact O-CG2 3.25Å; D189-V360 WeakPolarHBondContact O-CG2 3.29Å; S190-V360 VanDerWaalsContact O-CG1 3.29Å; S190-V360 WeakPolarHBondContact O-CG1 3.4Å; W191-V360 HydrophobicContact CE3-CG2 3.65Å; W191-V360 HydrophobicContact CZ3-CG2 4.17Å; D357-V360 WeakPolarHBondContact OD2-CA 3.37Å; D357-V360 WeakPolarHBondContact OD2-CB 3.41Å; D357-V360 PolarHBondContact OD2-N 3.06Å; L358-V360 PolarHBondContact O-N 3.31Å; V360-Q365 HydrophobicContact CG1-CG 3.81Å
361	D	97.6	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	151.9	-171.9	76.6	-48.9	0	0	0	115.3	S197 T200 Y204 D357 L358 M363 G364 Q365	S197-D361 WeakPolarHBondContact CA-OD1 3.37Å; S197-D361 PolarHBondContact OG-OD1 2.83Å; T200-D361 WeakPolarHBondContact CB-OD2 3.46Å; T200-D361 PolarHBondContact OG1-OD1 3.43Å; T200-D361 PolarHBondContact OG1-OD2 2.99Å; Y204-D361 HydrophobicContact CD1-CB 3.86Å; Y204-D361 HydrophobicContact CE1-CB 4.27Å; Y204-D361 HydrophobicContact CG-CB 4.18Å; D357-D361 WeakPolarHBondContact O-CA 3.49Å; L358-D361 PolarHBondContact O-N 3.39Å; D361-M363 VanDerWaalsContact C-N 3.26Å; D361-M363 PolarHBondContact O-N 3.17Å; D361-M363 WeakPolarHBondContact OD2-CB 3.43Å; D361-M363 PolarHBondContact OD2-N 3.26Å; D361-G364 PolarHBondContact O-N 3.05Å; D361-G364 PolarHBondContact OD1-N 2.74Å; D361-G364 PolarHBondContact OD2-N 3.49Å; D361-Q365 VanDerWaalsContact O-CG 3.31Å; D361-Q365 WeakPolarHBondContact O-CG 3.14Å; D361-Q365 PolarHBondContact O-N 3.32Å; D361-Q365 VanDerWaalsContact O-N 3.09Å
362	T	94.5	Very high	97.7	Very high	29 Å²	29	28 Å²	28	18%	0.178	14%	0.135	C	C	.	.	H	α-helix	trans	-56	-37.3	-178.2	58.3	0	0	0	0	113.5	Q365 E366 W411	T362-Q365 PolarHBondContact O-N 2.99Å; T362-E366 PolarHBondContact O-N 2.95Å; T362-W411 HydrophobicContact CG2-CE3 3.93Å; T362-W411 HydrophobicContact CG2-CH2 4.31Å; T362-W411 HydrophobicContact CG2-CZ3 3.65Å; T362-W411 WeakPolarHBondContact O-CH2 3.43Å
363	M	97	Very high	97.6	Very high	73 Å²	73	36.1 Å²	36.1	36%	0.36	17%	0.17	S	C	.	.	H	α-helix	trans	-68.8	-47.5	-179.2	-65.4	-178.6	61.8	0	0	111.2	T200 P203 D361 Q365 E366 L367	T200-M363 HydrophobicContact CG2-CB 3.88Å; P203-M363 HydrophobicContact CB-CE 3.95Å; P203-M363 HydrophobicContact CB-SD 4.21Å; D361-M363 VanDerWaalsContact C-N 3.26Å; D361-M363 PolarHBondContact O-N 3.17Å; D361-M363 WeakPolarHBondContact OD2-CB 3.43Å; D361-M363 PolarHBondContact OD2-N 3.26Å; M363-Q365 VanDerWaalsContact C-N 3.25Å; M363-Q365 PolarHBondContact O-N 2.8Å; M363-E366 PolarHBondContact O-N 3.34Å; M363-L367 WeakPolarHBondContact O-CG 3.43Å; M363-L367 PolarHBondContact O-N 3.3Å
364	G	98	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-38.2	177.3	0	0	0	0	0	112.2	T200 D361 L367 W368	T200-G364 VanDerWaalsContact OG1-CA 3.32Å; T200-G364 WeakPolarHBondContact OG1-CA 3.45Å; T200-G364 PolarHBondContact OG1-N 3.07Å; T200-G364 VanDerWaalsContact OG1-N 3.1Å; D361-G364 PolarHBondContact O-N 3.05Å; D361-G364 PolarHBondContact OD1-N 2.74Å; D361-G364 PolarHBondContact OD2-N 3.49Å; G364-L367 PolarHBondContact O-N 2.87Å; G364-W368 PolarHBondContact O-N 2.87Å
365	Q	98	Very high	97.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-41.1	176.6	-64.3	-64.4	-58.3	0	0	112.9	S190 N353 V360 D361 T362 M363 L367 W368 V369 F409 W411	S190-Q365 PolarHBondContact O-NE2 3.09Å; N353-Q365 WeakPolarHBondContact ND2-CG 3.5Å; V360-Q365 HydrophobicContact CG1-CG 3.81Å; D361-Q365 VanDerWaalsContact O-CG 3.31Å; D361-Q365 WeakPolarHBondContact O-CG 3.14Å; D361-Q365 PolarHBondContact O-N 3.32Å; D361-Q365 VanDerWaalsContact O-N 3.09Å; T362-Q365 PolarHBondContact O-N 2.99Å; M363-Q365 VanDerWaalsContact C-N 3.25Å; M363-Q365 PolarHBondContact O-N 2.8Å; Q365-L367 VanDerWaalsContact C-N 3.29Å; Q365-L367 PolarHBondContact O-N 3.41Å; Q365-W368 PolarHBondContact O-NE1 2.95Å; Q365-V369 WeakPolarHBondContact O-CB 3.48Å; Q365-V369 VanDerWaalsContact O-CG2 3.29Å; Q365-V369 WeakPolarHBondContact O-CG2 3.35Å; Q365-V369 PolarHBondContact O-N 3.39Å; Q365-F409 HydrophobicContact CB-CZ 4.37Å; Q365-W411 HydrophobicContact CB-CH2 3.98Å; Q365-W411 HydrophobicContact CB-CZ3 4.46Å
366	E	96.4	Very high	97.6	Very high	60 Å²	60	41 Å²	41	28%	0.28	19%	0.192	S	C	.	.	H	α-helix	trans	-62.4	-36.7	172.2	-76	-157.9	169.8	0	0	112.9	T362 M363 K370 W411	T362-E366 PolarHBondContact O-N 2.95Å; M363-E366 PolarHBondContact O-N 3.34Å; E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 WeakPolarHBondContact O-CD 3.38Å; E366-K370 WeakPolarHBondContact O-CG 3.26Å; E366-K370 PolarHBondContact O-N 2.89Å; E366-K370 IonicContact OE2-NZ 2.89Å; E366-K370 PolarHBondContact OE2-NZ 3.27Å; E366-W411 HydrophobicContact CG-CH2 4.06Å; E366-W411 HydrophobicContact CG-CZ2 3.49Å; E366-W411 VanDerWaalsContact CG-CZ2 3.49Å
367	L	97.8	Very high	97.6	Very high	67 Å²	67	41.1 Å²	41.1	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-62.5	-47.6	-177.3	-73.1	-179.5	0	0	0	112	D196 T200 M363 G364 Q365 Q371	D196-L367 HydrophobicContact CB-CB 4.13Å; D196-L367 HydrophobicContact CB-CD1 4.41Å; T200-L367 HydrophobicContact CG2-CD1 3.48Å; T200-L367 VanDerWaalsContact CG2-CD1 3.48Å; T200-L367 HydrophobicContact CG2-CG 4.45Å; M363-L367 WeakPolarHBondContact O-CG 3.43Å; M363-L367 PolarHBondContact O-N 3.3Å; G364-L367 PolarHBondContact O-N 2.87Å; Q365-L367 VanDerWaalsContact C-N 3.29Å; Q365-L367 PolarHBondContact O-N 3.41Å; L367-Q371 WeakPolarHBondContact O-CG 3.27Å; L367-Q371 PolarHBondContact O-NE2 3.07Å
368	W	97.9	Very high	97.5	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-74.2	-35.9	-179.3	76.4	-102.9	0	0	0	112	I192 D196 V336 V339 V351 G364 Q365 K370 Q371 L372	I192-W368 HydrophobicContact CB-CZ2 4.24Å; I192-W368 HydrophobicContact CG1-CZ2 4.24Å; I192-W368 HydrophobicContact CG2-CD2 4.25Å; I192-W368 HydrophobicContact CG2-CE3 4.26Å; I192-W368 HydrophobicContact CG2-CH2 4.37Å; I192-W368 HydrophobicContact CG2-CZ2 4.36Å; I192-W368 HydrophobicContact CG2-CZ3 4.32Å; D196-W368 WeakPolarHBondContact OD2-CB 3.24Å; V336-W368 HydrophobicContact CG1-CE3 4.14Å; V336-W368 HydrophobicContact CG2-CB 4.06Å; V336-W368 HydrophobicContact CG2-CE3 4.48Å; V339-W368 HydrophobicContact CB-CZ3 4.4Å; V339-W368 HydrophobicContact CG1-CH2 4.38Å; V339-W368 HydrophobicContact CG1-CZ3 4.06Å; V339-W368 HydrophobicContact CG2-CZ3 4.43Å; V351-W368 HydrophobicContact CG1-CZ2 4.23Å; V351-W368 HydrophobicContact CG2-CH2 3.59Å; V351-W368 HydrophobicContact CG2-CZ2 3.82Å; G364-W368 PolarHBondContact O-N 2.87Å; Q365-W368 PolarHBondContact O-NE1 2.95Å; W368-K370 VanDerWaalsContact C-N 3.29Å; W368-K370 PolarHBondContact O-N 2.82Å; W368-Q371 PolarHBondContact O-N 2.86Å; W368-L372 HydrophobicContact CE3-CD2 4.19Å; W368-L372 HydrophobicContact CE3-CG 4.28Å; W368-L372 HydrophobicContact CZ3-CD1 4.15Å; W368-L372 HydrophobicContact CZ3-CD2 3.87Å; W368-L372 HydrophobicContact CZ3-CG 4.13Å; W368-L372 PolarHBondContact O-N 2.96Å
369	V	97.9	Very high	97.5	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-39.3	175.9	169.7	0	0	0	0	111	Q365 Q371 L372 L377 F380 F407 F409	Q365-V369 WeakPolarHBondContact O-CB 3.48Å; Q365-V369 VanDerWaalsContact O-CG2 3.29Å; Q365-V369 WeakPolarHBondContact O-CG2 3.35Å; Q365-V369 PolarHBondContact O-N 3.39Å; V369-Q371 PolarHBondContact O-N 2.73Å; V369-L372 HydrophobicContact CG1-CD1 4.25Å; V369-L372 WeakPolarHBondContact O-CB 3.37Å; V369-L372 WeakPolarHBondContact O-CG 3.47Å; V369-L372 PolarHBondContact O-N 3.17Å; V369-L377 WeakPolarHBondContact O-CD1 3.4Å; V369-F380 HydrophobicContact CG1-CE1 4.21Å; V369-F407 HydrophobicContact CG1-CE1 3.83Å; V369-F407 HydrophobicContact CG1-CZ 3.94Å; V369-F407 HydrophobicContact CG2-CZ 4.19Å; V369-F409 HydrophobicContact CB-CE1 4.29Å; V369-F409 HydrophobicContact CG1-CD1 4.2Å; V369-F409 HydrophobicContact CG1-CE1 4.27Å; V369-F409 HydrophobicContact CG2-CD1 4.35Å; V369-F409 HydrophobicContact CG2-CE1 3.9Å; V369-F409 HydrophobicContact CG2-CZ 4.47Å
370	K	97.1	Very high	97.6	Very high	122 Å²	122	46.1 Å²	46.1	53%	0.53	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.8	175.7	-73.7	168.4	-171.4	161.7	0	113.7	E366 W368 L377	E366-K370 WeakPolarHBondContact O-CB 3.4Å; E366-K370 WeakPolarHBondContact O-CD 3.38Å; E366-K370 WeakPolarHBondContact O-CG 3.26Å; E366-K370 PolarHBondContact O-N 2.89Å; E366-K370 IonicContact OE2-NZ 2.89Å; E366-K370 PolarHBondContact OE2-NZ 3.27Å; W368-K370 VanDerWaalsContact C-N 3.29Å; W368-K370 PolarHBondContact O-N 2.82Å; K370-L377 WeakPolarHBondContact O-CD2 3.5Å
371	Q	96.6	Very high	97.5	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.542	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	0.4	-179.7	-68	175.9	63.2	0	0	113.4	L367 W368 V369 K373	L367-Q371 WeakPolarHBondContact O-CG 3.27Å; L367-Q371 PolarHBondContact O-NE2 3.07Å; W368-Q371 PolarHBondContact O-N 2.86Å; V369-Q371 PolarHBondContact O-N 2.73Å; Q371-K373 PolarHBondContact O-N 3.11Å
372	L	98.3	Very high	97.5	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	29%	0.287	C	S	.	.			trans	-53.2	132.1	177	-78.6	171.5	0	0	0	111.9	V336 V339 D340 L343 W368 V369 W374 L377 F407	V336-L372 HydrophobicContact CG1-CD2 4.25Å; V339-L372 HydrophobicContact CB-CD2 4.2Å; V339-L372 HydrophobicContact CG1-CD2 3.9Å; D340-L372 WeakPolarHBondContact OD1-CA 3.41Å; D340-L372 WeakPolarHBondContact OD1-CD2 3.28Å; L343-L372 HydrophobicContact CD1-CD1 3.98Å; L343-L372 HydrophobicContact CD1-CD2 4.28Å; W368-L372 HydrophobicContact CE3-CD2 4.19Å; W368-L372 HydrophobicContact CE3-CG 4.28Å; W368-L372 HydrophobicContact CZ3-CD1 4.15Å; W368-L372 HydrophobicContact CZ3-CD2 3.87Å; W368-L372 HydrophobicContact CZ3-CG 4.13Å; W368-L372 PolarHBondContact O-N 2.96Å; V369-L372 HydrophobicContact CG1-CD1 4.25Å; V369-L372 WeakPolarHBondContact O-CB 3.37Å; V369-L372 WeakPolarHBondContact O-CG 3.47Å; V369-L372 PolarHBondContact O-N 3.17Å; L372-W374 HydrophobicContact CB-CB 4.43Å; L372-W374 PolarHBondContact O-N 2.9Å; L372-W374 VanDerWaalsContact O-N 3.09Å; L372-L377 HydrophobicContact CB-CD2 4.27Å; L372-L377 WeakPolarHBondContact O-CD2 3.35Å; L372-F407 HydrophobicContact CD1-CE1 4.47Å; L372-F407 HydrophobicContact CD1-CE2 4.33Å; L372-F407 HydrophobicContact CD1-CZ 4.15Å
373	K	98	Very high	97.6	Very high	172 Å²	172	58.8 Å²	58.8	75%	0.748	29%	0.294	S	S	*	.			trans	-88.3	48.8	174.5	-60.1	174.6	-176.5	166.3	0	110.7	D340 Q371	D340-K373 HydrophobicContact CB-CB 4.44Å; D340-K373 PolarHBondContact OD1-N 3.39Å; D340-K373 WeakPolarHBondContact OD2-CB 3.34Å; Q371-K373 PolarHBondContact O-N 3.11Å
374	W	97.8	Very high	97.6	Very high	15 Å²	15	66.1 Å²	66.1	6%	0.057	32%	0.318	C	S	.	.			trans	-108.9	132.8	179.6	168.6	62.2	0	0	0	111	L343 L372 G376 L377 F380 Y404 K405 N406 F407	L343-W374 HydrophobicContact CB-CB 4.2Å; L343-W374 HydrophobicContact CB-CG 3.88Å; L343-W374 HydrophobicContact CD1-CB 3.89Å; L343-W374 HydrophobicContact CD1-CD2 4.13Å; L343-W374 HydrophobicContact CD1-CE3 4.47Å; L343-W374 HydrophobicContact CD1-CG 3.89Å; L343-W374 HydrophobicContact CG-CG 4.4Å; L372-W374 HydrophobicContact CB-CB 4.43Å; L372-W374 PolarHBondContact O-N 2.9Å; L372-W374 VanDerWaalsContact O-N 3.09Å; W374-G376 PolarHBondContact O-N 3.2Å; W374-G376 VanDerWaalsContact O-N 3.08Å; W374-L377 HydrophobicContact CE3-CB 4.07Å; W374-L377 VanDerWaalsContact O-CB 3.28Å; W374-L377 WeakPolarHBondContact O-CB 3.45Å; W374-L377 PolarHBondContact O-N 3.43Å; W374-F380 HydrophobicContact CH2-CB 4.34Å; W374-F380 HydrophobicContact CZ3-CB 3.78Å; W374-F380 HydrophobicContact CZ3-CG 4.34Å; W374-Y404 AromaticContact CH2-CD1 3.71Å; W374-Y404 HydrophobicContact CH2-CD1 3.71Å; W374-Y404 HydrophobicContact CH2-CG 4.49Å; W374-Y404 VanDerWaalsContact CH2-O 3.22Å; W374-Y404 WeakPolarHBondContact CH2-O 3.4Å; W374-Y404 HydrophobicContact CZ2-CD1 4.37Å; W374-Y404 HydrophobicContact CZ3-CD1 4.4Å; W374-K405 HydrophobicContact CZ2-CB 3.97Å; W374-K405 HydrophobicContact CZ2-CD 4.36Å; W374-N406 PolarHBondContact NE1-OD1 2.93Å; W374-F407 HydrophobicContact CE3-CB 4.44Å; W374-F407 HydrophobicContact CH2-CB 3.49Å; W374-F407 VanDerWaalsContact CH2-CB 3.49Å; W374-F407 HydrophobicContact CH2-CG 4.46Å; W374-F407 HydrophobicContact CZ2-CB 3.95Å; W374-F407 HydrophobicContact CZ3-CB 3.78Å; W374-F407 HydrophobicContact CZ3-CD1 4.19Å; W374-F407 HydrophobicContact CZ3-CG 4.29Å
375	E	97.5	Very high	97.6	Very high	168 Å²	168	69.8 Å²	69.8	79%	0.785	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.7	-177.8	-165	-160.9	137.5	0	0	113	L377 P378 K405	E375-L377 VanDerWaalsContact C-N 3.34Å; E375-P378 WeakPolarHBondContact O-CD 3.33Å; E375-K405 IonicContact OE1-NZ 3.89Å
376	G	98	Very high	97.6	Very high	1 Å²	1	73 Å²	73	1%	0.01	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.3	177.6	0	0	0	0	0	115.2	W374 G379 F380 Y404	W374-G376 PolarHBondContact O-N 3.2Å; W374-G376 VanDerWaalsContact O-N 3.08Å; G376-G379 PolarHBondContact O-N 3.12Å; G376-G379 VanDerWaalsContact O-N 3.1Å; G376-F380 PolarHBondContact O-N 3.11Å; G376-Y404 WeakPolarHBondContact O-CD1 3.46Å; G376-Y404 WeakPolarHBondContact O-CE1 3.41Å
377	L	98.2	Very high	97.7	Very high	21 Å²	21	73.7 Å²	73.7	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-42.1	-172.8	179.5	64.9	0	0	0	113.5	V369 K370 L372 W374 E375 G379 F380 S381	V369-L377 WeakPolarHBondContact O-CD1 3.4Å; K370-L377 WeakPolarHBondContact O-CD2 3.5Å; L372-L377 HydrophobicContact CB-CD2 4.27Å; L372-L377 WeakPolarHBondContact O-CD2 3.35Å; W374-L377 HydrophobicContact CE3-CB 4.07Å; W374-L377 VanDerWaalsContact O-CB 3.28Å; W374-L377 WeakPolarHBondContact O-CB 3.45Å; W374-L377 PolarHBondContact O-N 3.43Å; E375-L377 VanDerWaalsContact C-N 3.34Å; L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 2.99Å; L377-F380 HydrophobicContact CD1-CD1 4.45Å; L377-F380 PolarHBondContact O-N 2.95Å; L377-S381 VanDerWaalsContact O-CB 3.31Å; L377-S381 WeakPolarHBondContact O-CB 3.46Å; L377-S381 PolarHBondContact O-N 2.97Å; L377-S381 PolarHBondContact O-OG 3.4Å
378	P	98.1	Very high	97.6	Very high	87 Å²	87	71.5 Å²	71.5	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-59.5	-39.4	176.6	-25.5	36	0	0	0	112.9	E375 Q382	E375-P378 WeakPolarHBondContact O-CD 3.33Å; P378-Q382 WeakPolarHBondContact O-CG 3.43Å; P378-Q382 PolarHBondContact O-N 3.33Å
379	G	98.1	Very high	97.6	Very high	14 Å²	14	76 Å²	76	14%	0.144	37%	0.374	C	S	.	.	H	α-helix	trans	-71.1	-44.2	177.6	0	0	0	0	0	112.5	G376 L377 S381 Q382	G376-G379 PolarHBondContact O-N 3.12Å; G376-G379 VanDerWaalsContact O-N 3.1Å; L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 2.99Å; G379-S381 VanDerWaalsContact C-N 3.31Å; G379-S381 PolarHBondContact O-N 3.12Å; G379-Q382 PolarHBondContact O-N 3.35Å
380	F	98.1	Very high	97.5	Very high	9 Å²	9	76 Å²	76	4%	0.039	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-41.8	174.8	178.5	-94	0	0	0	112.2	V369 W374 G376 L377 Q382 L383 K402 Y404 F407 F409	V369-F380 HydrophobicContact CG1-CE1 4.21Å; W374-F380 HydrophobicContact CH2-CB 4.34Å; W374-F380 HydrophobicContact CZ3-CB 3.78Å; W374-F380 HydrophobicContact CZ3-CG 4.34Å; G376-F380 PolarHBondContact O-N 3.11Å; L377-F380 HydrophobicContact CD1-CD1 4.45Å; L377-F380 PolarHBondContact O-N 2.95Å; F380-Q382 PolarHBondContact O-N 3.16Å; F380-L383 WeakPolarHBondContact O-CB 3.5Å; F380-L383 PolarHBondContact O-N 2.94Å; F380-L383 VanDerWaalsContact O-N 3.07Å; F380-K402 HydrophobicContact CD2-CB 4.36Å; F380-K402 HydrophobicContact CE1-CD 4.47Å; F380-K402 HydrophobicContact CE2-CB 3.52Å; F380-K402 HydrophobicContact CE2-CD 4.39Å; F380-K402 HydrophobicContact CZ-CB 3.84Å; F380-K402 HydrophobicContact CZ-CD 4.08Å; F380-Y404 HydrophobicContact CB-CD1 4.21Å; F380-Y404 HydrophobicContact CB-CG 4.25Å; F380-F407 HydrophobicContact CD1-CD1 4.31Å; F380-F407 HydrophobicContact CD1-CE1 4.31Å; F380-F407 AromaticContact CD2-CD1 3.74Å; F380-F407 HydrophobicContact CD2-CD1 3.74Å; F380-F407 HydrophobicContact CD2-CE1 4.34Å; F380-F407 HydrophobicContact CE1-CD1 4.17Å; F380-F407 AromaticContact CE1-CE1 3.82Å; F380-F407 HydrophobicContact CE1-CE1 3.82Å; F380-F407 AromaticContact CE2-CD1 3.57Å; F380-F407 HydrophobicContact CE2-CD1 3.57Å; F380-F407 AromaticContact CE2-CE1 3.84Å; F380-F407 HydrophobicContact CE2-CE1 3.84Å; F380-F407 HydrophobicContact CG-CD1 4.12Å; F380-F407 AromaticContact CZ-CD1 3.81Å; F380-F407 HydrophobicContact CZ-CD1 3.81Å; F380-F407 AromaticContact CZ-CE1 3.57Å; F380-F407 HydrophobicContact CZ-CE1 3.57Å; F380-F409 HydrophobicContact CE2-CB 4.35Å; F380-F409 HydrophobicContact CZ-CB 3.76Å; F380-F409 HydrophobicContact CZ-CD1 4.31Å
381	S	97.1	Very high	97.4	Very high	69 Å²	69	73.1 Å²	73.1	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-23.8	-178.2	-60.9	0	0	0	0	113.4	L377 G379	L377-S381 VanDerWaalsContact O-CB 3.31Å; L377-S381 WeakPolarHBondContact O-CB 3.46Å; L377-S381 PolarHBondContact O-N 2.97Å; L377-S381 PolarHBondContact O-OG 3.4Å; G379-S381 VanDerWaalsContact C-N 3.31Å; G379-S381 PolarHBondContact O-N 3.12Å
382	Q	97.1	Very high	97.3	Very high	165 Å²	165	70.9 Å²	70.9	77%	0.771	37%	0.368	S	S	*	.	H	α-helix	trans	-82	-15.6	176.5	-70.2	176.3	-5.6	0	0	113.2	P378 G379 F380	P378-Q382 WeakPolarHBondContact O-CG 3.43Å; P378-Q382 PolarHBondContact O-N 3.33Å; G379-Q382 PolarHBondContact O-N 3.35Å; F380-Q382 PolarHBondContact O-N 3.16Å
383	L	97.3	Very high	97.1	Very high	62 Å²	62	73 Å²	73	33%	0.325	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.8	145.3	179.3	-63.4	-179.6	0	0	0	111.5	F380 K402 T403 Y404	F380-L383 WeakPolarHBondContact O-CB 3.5Å; F380-L383 PolarHBondContact O-N 2.94Å; F380-L383 VanDerWaalsContact O-N 3.07Å; L383-K402 HydrophobicContact CB-CD 4.14Å; L383-K402 HydrophobicContact CB-CG 4.27Å; L383-K402 WeakPolarHBondContact O-CE 3.36Å; L383-K402 PolarHBondContact O-NZ 3.03Å; L383-T403 VanDerWaalsContact CD1-O 3.29Å; L383-T403 WeakPolarHBondContact CD1-O 3.46Å; L383-Y404 HydrophobicContact CD1-CD2 4.08Å; L383-Y404 HydrophobicContact CD1-CG 4.36Å
384	R	97.2	Very high	96.8	Very high	226 Å²	226	70.4 Å²	70.4	85%	0.853	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-88.4	153.4	167.9	-64.3	-176.2	179.2	-177.3	-0.7	109.7
385	W	97.6	Very high	96.5	Very high	78 Å²	78	73 Å²	73	30%	0.295	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-63.1	134.9	172.2	-70.4	115.4	0	0	0	110.5	F400 K402 F409 W411	W385-F400 HydrophobicContact CB-CB 4.03Å; W385-F400 HydrophobicContact CB-CD1 3.86Å; W385-F400 HydrophobicContact CB-CG 4.23Å; W385-F400 HydrophobicContact CD2-CB 4.11Å; W385-F400 HydrophobicContact CE3-CB 3.86Å; W385-F400 HydrophobicContact CG-CB 4.2Å; W385-K402 HydrophobicContact CD2-CD 4.09Å; W385-K402 VanDerWaalsContact CD2-CE 3.42Å; W385-K402 HydrophobicContact CD2-CG 4.08Å; W385-K402 VanDerWaalsContact CE2-CE 3.46Å; W385-K402 HydrophobicContact CE3-CB 4.39Å; W385-K402 HydrophobicContact CE3-CD 3.99Å; W385-K402 HydrophobicContact CE3-CG 3.61Å; W385-K402 HydrophobicContact CH2-CD 4.11Å; W385-K402 HydrophobicContact CH2-CG 4.38Å; W385-K402 HydrophobicContact CZ2-CD 4.2Å; W385-K402 HydrophobicContact CZ3-CB 4.16Å; W385-K402 HydrophobicContact CZ3-CD 4.02Å; W385-K402 HydrophobicContact CZ3-CG 3.79Å; W385-F409 HydrophobicContact CH2-CB 4.3Å; W385-F409 AromaticContact CH2-CD1 4Å; W385-F409 HydrophobicContact CH2-CD1 4Å; W385-F409 HydrophobicContact CH2-CG 4.08Å; W385-F409 HydrophobicContact CZ3-CB 4.49Å; W385-W411 AromaticContact CE2-CD1 3.74Å; W385-W411 AromaticContact CE2-NE1 3.63Å; W385-W411 AromaticContact CH2-CD1 3.42Å; W385-W411 VanDerWaalsContact CH2-CD1 3.42Å; W385-W411 HydrophobicContact CH2-CG 4.38Å; W385-W411 AromaticContact CH2-NE1 3.18Å; W385-W411 AromaticContact CZ2-CD1 3.44Å; W385-W411 VanDerWaalsContact CZ2-CD1 3.44Å; W385-W411 AromaticContact CZ2-NE1 2.97Å; W385-W411 AromaticContact CZ3-CD1 3.74Å; W385-W411 AromaticContact CZ3-NE1 3.99Å
386	T	97.9	Very high	96.5	Very high	69 Å²	69	67.9 Å²	67.9	42%	0.423	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.9	169.8	-57	0	0	0	0	108.2	F400 F401	T386-F400 CarbonylContact O-C 3.57Å; T386-F400 WeakPolarHBondContact O-CA 3.19Å; T386-F401 HydrophobicContact CG2-CD1 4.29Å; T386-F401 HydrophobicContact CG2-CE1 3.49Å; T386-F401 VanDerWaalsContact CG2-CE1 3.49Å; T386-F401 HydrophobicContact CG2-CZ 3.94Å; T386-F401 PolarHBondContact N-O 3.39Å; T386-F401 VanDerWaalsContact O-CD1 3.29Å; T386-F401 WeakPolarHBondContact O-CD1 3.28Å; T386-F401 PolarHBondContact O-N 3.15Å
387	P	97.8	Very high	96.5	Very high	73 Å²	73	70.1 Å²	70.1	47%	0.474	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148.2	176	30.1	-33.4	0	0	0	111.1	T397 A399 F400	P387-T397 HydrophobicContact CB-CG2 3.93Å; P387-A399 CarbonylContact C-O 3.5Å; P387-A399 WeakPolarHBondContact CA-O 3.44Å; P387-F400 HydrophobicContact CB-CD1 4.05Å; P387-F400 HydrophobicContact CB-CE1 3.85Å
388	L	97.1	Very high	96.5	Very high	21 Å²	21	69.1 Å²	69.1	11%	0.11	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.8	168	-66.4	172.6	0	0	0	109.3	T397 G398 A399 F401 Y410 M426 M433	L388-T397 CarbonylContact O-C 3.54Å; L388-T397 WeakPolarHBondContact O-CA 3.44Å; L388-G398 PolarHBondContact O-N 3.03Å; L388-A399 HydrophobicContact CB-CB 4.25Å; L388-A399 HydrophobicContact CD1-CB 4.28Å; L388-A399 PolarHBondContact N-O 2.87Å; L388-A399 PolarHBondContact O-N 2.92Å; L388-F401 HydrophobicContact CD1-CD1 3.63Å; L388-F401 HydrophobicContact CD1-CE1 4.04Å; L388-F401 HydrophobicContact CD1-CG 4.34Å; L388-F401 HydrophobicContact CD2-CD1 3.96Å; L388-F401 HydrophobicContact CD2-CE1 3.51Å; L388-F401 HydrophobicContact CD2-CZ 4.42Å; L388-F401 HydrophobicContact CG-CD1 3.58Å; L388-F401 HydrophobicContact CG-CE1 3.69Å; L388-Y410 HydrophobicContact CD1-CD1 4.48Å; L388-Y410 HydrophobicContact CD1-CE1 4.36Å; L388-M426 HydrophobicContact CB-CE 4.43Å; L388-M433 HydrophobicContact CD1-CE 4.02Å; L388-M433 HydrophobicContact CD1-SD 3.68Å; L388-M433 HydrophobicContact CD2-CE 3.99Å; L388-M433 HydrophobicContact CD2-SD 4.15Å
389	D	96.8	Very high	96.5	Very high	97 Å²	97	65 Å²	65	52%	0.519	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	139.2	173	-79.5	-15.3	0	0	0	110.6	P391 T396 M426	D389-P391 VanDerWaalsContact O-CD 3.28Å; D389-P391 WeakPolarHBondContact O-CD 3.34Å; D389-T396 CarbonylContact C-O 3.2Å; D389-T396 WeakPolarHBondContact CA-O 3.28Å; D389-M426 VanDerWaalsContact O-CE 3.27Å; D389-M426 WeakPolarHBondContact O-CE 3.29Å
390	D	96.3	Very high	96.5	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.016	39%	0.386	C	S	.	.			trans	-67.5	115.1	174.2	-173.7	-19.8	0	0	0	110.2	A392 S393 T396 K414	D390-A392 PolarHBondContact O-N 3.24Å; D390-A392 VanDerWaalsContact O-N 3.16Å; D390-A392 WeakPolarHBondContact OD1-CB 3.29Å; D390-A392 PolarHBondContact OD1-N 3.04Å; D390-S393 CarbonylContact O-C 3.3Å; D390-S393 PolarHBondContact O-N 3.49Å; D390-S393 PolarHBondContact OD1-N 2.92Å; D390-T396 WeakPolarHBondContact CB-O 3.31Å; D390-T396 PolarHBondContact N-O 3.32Å; D390-K414 IonicContact OD2-NZ 2.73Å; D390-K414 PolarHBondContact OD2-NZ 3.39Å
391	P	95.4	Very high	96.5	Very high	62 Å²	62	68.8 Å²	68.8	40%	0.403	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.1	179.1	-26.6	35.6	0	0	0	113.6	D389 A425 M426 Q429	D389-P391 VanDerWaalsContact O-CD 3.28Å; D389-P391 WeakPolarHBondContact O-CD 3.34Å; P391-A425 HydrophobicContact CB-CB 4.12Å; P391-M426 HydrophobicContact CG-CE 4.35Å; P391-Q429 HydrophobicContact CG-CB 4.13Å
392	A	94.5	Very high	96.5	Very high	69 Å²	69	66.9 Å²	66.9	57%	0.57	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.2	177.3	0	0	0	0	0	112.2	D390 A425	D390-A392 PolarHBondContact O-N 3.24Å; D390-A392 VanDerWaalsContact O-N 3.16Å; D390-A392 WeakPolarHBondContact OD1-CB 3.29Å; D390-A392 PolarHBondContact OD1-N 3.04Å; A392-A425 HydrophobicContact CB-CB 4.18Å
393	S	93.4	Very high	96.5	Very high	53 Å²	53	62.4 Å²	62.4	37%	0.371	36%	0.358	S	S	.	.	S	Bend	trans	-144.7	74.9	-177.7	-65.6	0	0	0	0	111.8	D390 G395 T396	D390-S393 CarbonylContact O-C 3.3Å; D390-S393 PolarHBondContact O-N 3.49Å; D390-S393 PolarHBondContact OD1-N 2.92Å; S393-G395 PolarHBondContact O-N 3.44Å; S393-T396 VanDerWaalsContact O-CB 3.24Å; S393-T396 WeakPolarHBondContact O-CB 3.46Å; S393-T396 PolarHBondContact O-N 3.36Å; S393-T396 PolarHBondContact O-OG1 2.98Å
394	P	90.7	Very high	96.6	Very high	116 Å²	116	63.3 Å²	63.3	75%	0.753	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	137.8	-177.2	-28	35.2	0	0	0	113.5	T396	P394-T396 VanDerWaalsContact C-N 3.27Å
395	G	93.3	Very high	96.6	Very high	69 Å²	69	58.5 Å²	58.5	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	0.3	-174.9	0	0	0	0	0	114.7	S393	S393-G395 PolarHBondContact O-N 3.44Å
396	T	96.4	Very high	96.6	Very high	62 Å²	62	55.9 Å²	55.9	38%	0.38	33%	0.334	S	S	.	.	S	Bend	trans	-105.8	135.8	168.7	-53.3	0	0	0	0	109	D389 D390 S393 P394 G398	D389-T396 CarbonylContact C-O 3.2Å; D389-T396 WeakPolarHBondContact CA-O 3.28Å; D390-T396 WeakPolarHBondContact CB-O 3.31Å; D390-T396 PolarHBondContact N-O 3.32Å; S393-T396 VanDerWaalsContact O-CB 3.24Å; S393-T396 WeakPolarHBondContact O-CB 3.46Å; S393-T396 PolarHBondContact O-N 3.36Å; S393-T396 PolarHBondContact O-OG1 2.98Å; P394-T396 VanDerWaalsContact C-N 3.27Å; T396-G398 PolarHBondContact O-N 3.34Å
397	T	98	Very high	96.7	Very high	48 Å²	48	52.7 Å²	52.7	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126	172.1	-53.4	0	0	0	0	109.9	P387 L388 A399 F400 L413	P387-T397 HydrophobicContact CB-CG2 3.93Å; L388-T397 CarbonylContact O-C 3.54Å; L388-T397 WeakPolarHBondContact O-CA 3.44Å; T397-A399 WeakPolarHBondContact CG2-O 3.44Å; T397-F400 HydrophobicContact CG2-CE1 4.18Å; T397-F400 HydrophobicContact CG2-CE2 4.08Å; T397-F400 HydrophobicContact CG2-CZ 3.88Å; T397-L413 HydrophobicContact CG2-CD1 3.87Å
398	G	97.9	Very high	96.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-23.1	175	0	0	0	0	0	113.3	L388 T396 L413	L388-G398 PolarHBondContact O-N 3.03Å; T396-G398 PolarHBondContact O-N 3.34Å; G398-L413 WeakPolarHBondContact O-CB 3.16Å; G398-L413 PolarHBondContact O-N 3.47Å
399	A	98.3	Very high	96.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	163.7	176.9	0	0	0	0	0	112.5	P387 L388 T397 W411 I412 M426	P387-A399 CarbonylContact C-O 3.5Å; P387-A399 WeakPolarHBondContact CA-O 3.44Å; L388-A399 HydrophobicContact CB-CB 4.25Å; L388-A399 HydrophobicContact CD1-CB 4.28Å; L388-A399 PolarHBondContact N-O 2.87Å; L388-A399 PolarHBondContact O-N 2.92Å; T397-A399 WeakPolarHBondContact CG2-O 3.44Å; A399-W411 CarbonylContact C-O 3.59Å; A399-W411 WeakPolarHBondContact CA-O 3.49Å; A399-W411 WeakPolarHBondContact CB-O 3.35Å; A399-I412 HydrophobicContact CB-CD1 3.77Å; A399-M426 HydrophobicContact CB-CE 4.31Å; A399-M426 HydrophobicContact CB-CG 4.14Å; A399-M426 HydrophobicContact CB-SD 3.82Å
400	F	98.4	Very high	96.9	Very high	71 Å²	71	44.5 Å²	44.5	31%	0.311	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.4	163.2	-68.6	-79.2	0	0	0	109.2	W385 T386 P387 T397 Y410 W411 L413	W385-F400 HydrophobicContact CB-CB 4.03Å; W385-F400 HydrophobicContact CB-CD1 3.86Å; W385-F400 HydrophobicContact CB-CG 4.23Å; W385-F400 HydrophobicContact CD2-CB 4.11Å; W385-F400 HydrophobicContact CE3-CB 3.86Å; W385-F400 HydrophobicContact CG-CB 4.2Å; T386-F400 CarbonylContact O-C 3.57Å; T386-F400 WeakPolarHBondContact O-CA 3.19Å; P387-F400 HydrophobicContact CB-CD1 4.05Å; P387-F400 HydrophobicContact CB-CE1 3.85Å; T397-F400 HydrophobicContact CG2-CE1 4.18Å; T397-F400 HydrophobicContact CG2-CE2 4.08Å; T397-F400 HydrophobicContact CG2-CZ 3.88Å; F400-Y410 CarbonylContact O-C 3.58Å; F400-Y410 WeakPolarHBondContact O-CA 3.22Å; F400-W411 HydrophobicContact CB-CB 4.42Å; F400-W411 PolarHBondContact N-O 2.89Å; F400-W411 PolarHBondContact O-N 3.33Å; F400-L413 HydrophobicContact CD2-CD1 4.2Å; F400-L413 HydrophobicContact CD2-CD2 4.07Å; F400-L413 HydrophobicContact CD2-CG 4.38Å; F400-L413 HydrophobicContact CE2-CD1 3.8Å; F400-L413 HydrophobicContact CE2-CD2 4.16Å; F400-L413 HydrophobicContact CE2-CG 4.41Å
401	F	98.1	Very high	97	Very high	32 Å²	32	45.4 Å²	45.4	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.6	175.2	79.6	-73.1	0	0	0	113.7	T386 L388 F409 Y410 M433	T386-F401 HydrophobicContact CG2-CD1 4.29Å; T386-F401 HydrophobicContact CG2-CE1 3.49Å; T386-F401 VanDerWaalsContact CG2-CE1 3.49Å; T386-F401 HydrophobicContact CG2-CZ 3.94Å; T386-F401 PolarHBondContact N-O 3.39Å; T386-F401 VanDerWaalsContact O-CD1 3.29Å; T386-F401 WeakPolarHBondContact O-CD1 3.28Å; T386-F401 PolarHBondContact O-N 3.15Å; L388-F401 HydrophobicContact CD1-CD1 3.63Å; L388-F401 HydrophobicContact CD1-CE1 4.04Å; L388-F401 HydrophobicContact CD1-CG 4.34Å; L388-F401 HydrophobicContact CD2-CD1 3.96Å; L388-F401 HydrophobicContact CD2-CE1 3.51Å; L388-F401 HydrophobicContact CD2-CZ 4.42Å; L388-F401 HydrophobicContact CG-CD1 3.58Å; L388-F401 HydrophobicContact CG-CE1 3.69Å; F401-F409 CarbonylContact C-O 3.51Å; F401-F409 WeakPolarHBondContact CA-O 3.38Å; F401-F409 WeakPolarHBondContact CB-O 3.47Å; F401-Y410 HydrophobicContact CB-CD1 3.41Å; F401-Y410 VanDerWaalsContact CB-CD1 3.41Å; F401-Y410 HydrophobicContact CB-CE1 3.59Å; F401-Y410 HydrophobicContact CB-CG 3.91Å; F401-Y410 HydrophobicContact CD2-CE1 4.12Å; F401-Y410 HydrophobicContact CG-CD1 4.19Å; F401-Y410 AromaticContact CG-CE1 3.89Å; F401-Y410 HydrophobicContact CG-CE1 3.89Å; F401-M433 HydrophobicContact CE1-CE 4.21Å; F401-M433 HydrophobicContact CE2-CE 4.18Å; F401-M433 HydrophobicContact CZ-CE 3.94Å
402	K	97.1	Very high	97.1	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.126	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.1	169.9	-71.5	174.9	-172.5	-172.7	0	108.9	F380 L383 W385 A408 F409	F380-K402 HydrophobicContact CD2-CB 4.36Å; F380-K402 HydrophobicContact CE1-CD 4.47Å; F380-K402 HydrophobicContact CE2-CB 3.52Å; F380-K402 HydrophobicContact CE2-CD 4.39Å; F380-K402 HydrophobicContact CZ-CB 3.84Å; F380-K402 HydrophobicContact CZ-CD 4.08Å; L383-K402 HydrophobicContact CB-CD 4.14Å; L383-K402 HydrophobicContact CB-CG 4.27Å; L383-K402 WeakPolarHBondContact O-CE 3.36Å; L383-K402 PolarHBondContact O-NZ 3.03Å; W385-K402 HydrophobicContact CD2-CD 4.09Å; W385-K402 VanDerWaalsContact CD2-CE 3.42Å; W385-K402 HydrophobicContact CD2-CG 4.08Å; W385-K402 VanDerWaalsContact CE2-CE 3.46Å; W385-K402 HydrophobicContact CE3-CB 4.39Å; W385-K402 HydrophobicContact CE3-CD 3.99Å; W385-K402 HydrophobicContact CE3-CG 3.61Å; W385-K402 HydrophobicContact CH2-CD 4.11Å; W385-K402 HydrophobicContact CH2-CG 4.38Å; W385-K402 HydrophobicContact CZ2-CD 4.2Å; W385-K402 HydrophobicContact CZ3-CB 4.16Å; W385-K402 HydrophobicContact CZ3-CD 4.02Å; W385-K402 HydrophobicContact CZ3-CG 3.79Å; K402-A408 CarbonylContact O-C 3.48Å; K402-A408 VanDerWaalsContact O-CA 3.29Å; K402-A408 WeakPolarHBondContact O-CA 3.49Å; K402-F409 PolarHBondContact N-O 3.03Å; K402-F409 PolarHBondContact O-N 3.37Å
403	T	97.6	Very high	97.3	Very high	71 Å²	71	40.5 Å²	40.5	44%	0.436	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.3	171.9	-53.5	0	0	0	0	109.2	L383 F407 A408	L383-T403 VanDerWaalsContact CD1-O 3.29Å; L383-T403 WeakPolarHBondContact CD1-O 3.46Å; T403-F407 WeakPolarHBondContact CA-O 3.47Å; T403-A408 HydrophobicContact CG2-CB 4.17Å
404	Y	98.3	Very high	97.5	Very high	81 Å²	81	41.9 Å²	41.9	32%	0.318	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	122.8	174.6	-168.8	-105.3	0	0	0	109.6	W374 G376 F380 L383 N406 F407	W374-Y404 AromaticContact CH2-CD1 3.71Å; W374-Y404 HydrophobicContact CH2-CD1 3.71Å; W374-Y404 HydrophobicContact CH2-CG 4.49Å; W374-Y404 VanDerWaalsContact CH2-O 3.22Å; W374-Y404 WeakPolarHBondContact CH2-O 3.4Å; W374-Y404 HydrophobicContact CZ2-CD1 4.37Å; W374-Y404 HydrophobicContact CZ3-CD1 4.4Å; G376-Y404 WeakPolarHBondContact O-CD1 3.46Å; G376-Y404 WeakPolarHBondContact O-CE1 3.41Å; F380-Y404 HydrophobicContact CB-CD1 4.21Å; F380-Y404 HydrophobicContact CB-CG 4.25Å; L383-Y404 HydrophobicContact CD1-CD2 4.08Å; L383-Y404 HydrophobicContact CD1-CG 4.36Å; Y404-N406 PolarHBondContact O-N 3.44Å; Y404-N406 VanDerWaalsContact O-N 3.17Å; Y404-F407 PolarHBondContact N-O 3.01Å; Y404-F407 PolarHBondContact O-N 3.49Å
405	K	97.9	Very high	97.8	Very high	124 Å²	124	36.3 Å²	36.3	54%	0.539	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-121.9	-173.9	-60.4	178.5	176.1	-176.7	0	110.3	W374 E375	W374-K405 HydrophobicContact CZ2-CB 3.97Å; W374-K405 HydrophobicContact CZ2-CD 4.36Å; E375-K405 IonicContact OE1-NZ 3.89Å
406	N	98.4	Very high	98	Very high	24 Å²	24	33 Å²	33	13%	0.128	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	18.6	-178.1	62.6	-50.3	0	0	0	114.2	L343 V347 N348 V349 W374 Y404	L343-N406 WeakPolarHBondContact CA-ND2 3.41Å; L343-N406 PolarHBondContact O-ND2 3.47Å; V347-N406 PolarHBondContact O-ND2 3.4Å; N348-N406 WeakPolarHBondContact CA-O 3.4Å; V349-N406 PolarHBondContact N-O 3.3Å; W374-N406 PolarHBondContact NE1-OD1 2.93Å; Y404-N406 PolarHBondContact O-N 3.44Å; Y404-N406 VanDerWaalsContact O-N 3.17Å
407	F	98.8	Very high	98.1	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.6	174.5	-172.5	-117.4	0	0	0	111.6	L343 V349 V351 V369 L372 W374 F380 T403 Y404 F409	L343-F407 HydrophobicContact CD1-CD2 4.19Å; L343-F407 HydrophobicContact CD2-CB 3.84Å; L343-F407 HydrophobicContact CD2-CD2 4.01Å; L343-F407 HydrophobicContact CD2-CG 4.32Å; V349-F407 HydrophobicContact CB-CD2 4.21Å; V349-F407 HydrophobicContact CG1-CD2 4.27Å; V349-F407 HydrophobicContact CG1-CE2 4.28Å; V349-F407 WeakPolarHBondContact O-CA 3.41Å; V349-F407 WeakPolarHBondContact O-CD2 3.34Å; V351-F407 HydrophobicContact CB-CZ 4.43Å; V351-F407 HydrophobicContact CG2-CE2 3.72Å; V351-F407 HydrophobicContact CG2-CZ 3.92Å; V369-F407 HydrophobicContact CG1-CE1 3.83Å; V369-F407 HydrophobicContact CG1-CZ 3.94Å; V369-F407 HydrophobicContact CG2-CZ 4.19Å; L372-F407 HydrophobicContact CD1-CE1 4.47Å; L372-F407 HydrophobicContact CD1-CE2 4.33Å; L372-F407 HydrophobicContact CD1-CZ 4.15Å; W374-F407 HydrophobicContact CE3-CB 4.44Å; W374-F407 HydrophobicContact CH2-CB 3.49Å; W374-F407 VanDerWaalsContact CH2-CB 3.49Å; W374-F407 HydrophobicContact CH2-CG 4.46Å; W374-F407 HydrophobicContact CZ2-CB 3.95Å; W374-F407 HydrophobicContact CZ3-CB 3.78Å; W374-F407 HydrophobicContact CZ3-CD1 4.19Å; W374-F407 HydrophobicContact CZ3-CG 4.29Å; F380-F407 HydrophobicContact CD1-CD1 4.31Å; F380-F407 HydrophobicContact CD1-CE1 4.31Å; F380-F407 AromaticContact CD2-CD1 3.74Å; F380-F407 HydrophobicContact CD2-CD1 3.74Å; F380-F407 HydrophobicContact CD2-CE1 4.34Å; F380-F407 HydrophobicContact CE1-CD1 4.17Å; F380-F407 AromaticContact CE1-CE1 3.82Å; F380-F407 HydrophobicContact CE1-CE1 3.82Å; F380-F407 AromaticContact CE2-CD1 3.57Å; F380-F407 HydrophobicContact CE2-CD1 3.57Å; F380-F407 AromaticContact CE2-CE1 3.84Å; F380-F407 HydrophobicContact CE2-CE1 3.84Å; F380-F407 HydrophobicContact CG-CD1 4.12Å; F380-F407 AromaticContact CZ-CD1 3.81Å; F380-F407 HydrophobicContact CZ-CD1 3.81Å; F380-F407 AromaticContact CZ-CE1 3.57Å; F380-F407 HydrophobicContact CZ-CE1 3.57Å; T403-F407 WeakPolarHBondContact CA-O 3.47Å; Y404-F407 PolarHBondContact N-O 3.01Å; Y404-F407 PolarHBondContact O-N 3.49Å; F407-F409 HydrophobicContact CE1-CB 4.3Å
408	A	98.5	Very high	98.1	Very high	7 Å²	7	29.5 Å²	29.5	6%	0.058	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.7	171.4	0	0	0	0	0	111	V349 T350 V351 K402 T403 Y410	V349-A408 PolarHBondContact O-N 3.13Å; T350-A408 CarbonylContact C-O 3.59Å; T350-A408 WeakPolarHBondContact CA-O 3.42Å; T350-A408 HydrophobicContact CG2-CB 4.13Å; V351-A408 PolarHBondContact N-O 2.86Å; K402-A408 CarbonylContact O-C 3.48Å; K402-A408 VanDerWaalsContact O-CA 3.29Å; K402-A408 WeakPolarHBondContact O-CA 3.49Å; T403-A408 HydrophobicContact CG2-CB 4.17Å; A408-Y410 HydrophobicContact CB-CE2 3.87Å
409	F	98.6	Very high	98.1	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.8	175.6	-163.5	174.3	0	0	0	110.2	V351 N353 Q365 V369 F380 W385 F401 K402 F407 W411	V351-F409 HydrophobicContact CB-CD2 3.82Å; V351-F409 HydrophobicContact CB-CE2 4.09Å; V351-F409 HydrophobicContact CB-CG 4.29Å; V351-F409 HydrophobicContact CG1-CD2 3.75Å; V351-F409 HydrophobicContact CG1-CE2 3.47Å; V351-F409 VanDerWaalsContact CG1-CE2 3.47Å; V351-F409 HydrophobicContact CG1-CZ 3.99Å; V351-F409 CarbonylContact O-C 3.42Å; V351-F409 VanDerWaalsContact O-CA 3.23Å; V351-F409 WeakPolarHBondContact O-CA 3.37Å; V351-F409 WeakPolarHBondContact O-CD2 3.48Å; N353-F409 HydrophobicContact CB-CE2 4.4Å; Q365-F409 HydrophobicContact CB-CZ 4.37Å; V369-F409 HydrophobicContact CB-CE1 4.29Å; V369-F409 HydrophobicContact CG1-CD1 4.2Å; V369-F409 HydrophobicContact CG1-CE1 4.27Å; V369-F409 HydrophobicContact CG2-CD1 4.35Å; V369-F409 HydrophobicContact CG2-CE1 3.9Å; V369-F409 HydrophobicContact CG2-CZ 4.47Å; F380-F409 HydrophobicContact CE2-CB 4.35Å; F380-F409 HydrophobicContact CZ-CB 3.76Å; F380-F409 HydrophobicContact CZ-CD1 4.31Å; W385-F409 HydrophobicContact CH2-CB 4.3Å; W385-F409 AromaticContact CH2-CD1 4Å; W385-F409 HydrophobicContact CH2-CD1 4Å; W385-F409 HydrophobicContact CH2-CG 4.08Å; W385-F409 HydrophobicContact CZ3-CB 4.49Å; F401-F409 CarbonylContact C-O 3.51Å; F401-F409 WeakPolarHBondContact CA-O 3.38Å; F401-F409 WeakPolarHBondContact CB-O 3.47Å; K402-F409 PolarHBondContact N-O 3.03Å; K402-F409 PolarHBondContact O-N 3.37Å; F407-F409 HydrophobicContact CE1-CB 4.3Å; F409-W411 AromaticContact CE1-CH2 3.98Å; F409-W411 HydrophobicContact CE1-CH2 3.98Å; F409-W411 AromaticContact CE1-CZ2 3.6Å; F409-W411 HydrophobicContact CE1-CZ2 3.6Å; F409-W411 HydrophobicContact CE2-CD2 4.2Å; F409-W411 HydrophobicContact CE2-CE3 4.05Å; F409-W411 AromaticContact CE2-CH2 3.69Å; F409-W411 HydrophobicContact CE2-CH2 3.69Å; F409-W411 AromaticContact CE2-CZ2 3.8Å; F409-W411 HydrophobicContact CE2-CZ2 3.8Å; F409-W411 AromaticContact CE2-CZ3 3.82Å; F409-W411 HydrophobicContact CE2-CZ3 3.82Å; F409-W411 HydrophobicContact CZ-CD2 4.4Å; F409-W411 AromaticContact CZ-CE2 3.86Å; F409-W411 HydrophobicContact CZ-CE3 4.32Å; F409-W411 AromaticContact CZ-CH2 3.12Å; F409-W411 HydrophobicContact CZ-CH2 3.12Å; F409-W411 AromaticContact CZ-CZ2 3.17Å; F409-W411 HydrophobicContact CZ-CZ2 3.17Å; F409-W411 AromaticContact CZ-CZ3 3.75Å; F409-W411 HydrophobicContact CZ-CZ3 3.75Å
410	Y	98.6	Very high	98.1	Very high	9 Å²	9	29.7 Å²	29.7	4%	0.035	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.9	175.7	-60.6	-105	0	0	0	111.7	T350 V351 Y352 N353 L388 F400 F401 A408 M430 M433 I434	T350-Y410 HydrophobicContact CG2-CD2 3.61Å; T350-Y410 HydrophobicContact CG2-CE2 3.58Å; V351-Y410 PolarHBondContact O-N 3.42Å; Y352-Y410 WeakPolarHBondContact CA-O 3.35Å; N353-Y410 PolarHBondContact N-O 3.17Å; L388-Y410 HydrophobicContact CD1-CD1 4.48Å; L388-Y410 HydrophobicContact CD1-CE1 4.36Å; F400-Y410 CarbonylContact O-C 3.58Å; F400-Y410 WeakPolarHBondContact O-CA 3.22Å; F401-Y410 HydrophobicContact CB-CD1 3.41Å; F401-Y410 VanDerWaalsContact CB-CD1 3.41Å; F401-Y410 HydrophobicContact CB-CE1 3.59Å; F401-Y410 HydrophobicContact CB-CG 3.91Å; F401-Y410 HydrophobicContact CD2-CE1 4.12Å; F401-Y410 HydrophobicContact CG-CD1 4.19Å; F401-Y410 AromaticContact CG-CE1 3.89Å; F401-Y410 HydrophobicContact CG-CE1 3.89Å; A408-Y410 HydrophobicContact CB-CE2 3.87Å; Y410-M430 HydrophobicContact CD1-CG 3.94Å; Y410-M430 HydrophobicContact CD1-SD 4.46Å; Y410-M430 HydrophobicContact CD2-CG 4.44Å; Y410-M430 HydrophobicContact CE1-CG 4.1Å; Y410-M430 HydrophobicContact CG-CG 4.14Å; Y410-M430 HydrophobicContact CG-SD 4.17Å; Y410-M433 HydrophobicContact CE1-CE 4.49Å; Y410-I434 HydrophobicContact CE2-CD1 4.38Å; Y410-I434 HydrophobicContact CE2-CG1 4.08Å
411	W	98	Very high	97.9	Very high	22 Å²	22	29 Å²	29	8%	0.083	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119	160.7	-65.7	129	0	0	0	109.2	N353 T362 Q365 E366 W385 A399 F400 F409	N353-W411 HydrophobicContact CB-CE3 3.5Å; N353-W411 HydrophobicContact CB-CH2 4.36Å; N353-W411 HydrophobicContact CB-CZ3 3.23Å; T362-W411 HydrophobicContact CG2-CE3 3.93Å; T362-W411 HydrophobicContact CG2-CH2 4.31Å; T362-W411 HydrophobicContact CG2-CZ3 3.65Å; T362-W411 WeakPolarHBondContact O-CH2 3.43Å; Q365-W411 HydrophobicContact CB-CH2 3.98Å; Q365-W411 HydrophobicContact CB-CZ3 4.46Å; E366-W411 HydrophobicContact CG-CH2 4.06Å; E366-W411 HydrophobicContact CG-CZ2 3.49Å; E366-W411 VanDerWaalsContact CG-CZ2 3.49Å; W385-W411 AromaticContact CE2-CD1 3.74Å; W385-W411 AromaticContact CE2-NE1 3.63Å; W385-W411 AromaticContact CH2-CD1 3.42Å; W385-W411 VanDerWaalsContact CH2-CD1 3.42Å; W385-W411 HydrophobicContact CH2-CG 4.38Å; W385-W411 AromaticContact CH2-NE1 3.18Å; W385-W411 AromaticContact CZ2-CD1 3.44Å; W385-W411 VanDerWaalsContact CZ2-CD1 3.44Å; W385-W411 AromaticContact CZ2-NE1 2.97Å; W385-W411 AromaticContact CZ3-CD1 3.74Å; W385-W411 AromaticContact CZ3-NE1 3.99Å; A399-W411 CarbonylContact C-O 3.59Å; A399-W411 WeakPolarHBondContact CA-O 3.49Å; A399-W411 WeakPolarHBondContact CB-O 3.35Å; F400-W411 HydrophobicContact CB-CB 4.42Å; F400-W411 PolarHBondContact N-O 2.89Å; F400-W411 PolarHBondContact O-N 3.33Å; F409-W411 AromaticContact CE1-CH2 3.98Å; F409-W411 HydrophobicContact CE1-CH2 3.98Å; F409-W411 AromaticContact CE1-CZ2 3.6Å; F409-W411 HydrophobicContact CE1-CZ2 3.6Å; F409-W411 HydrophobicContact CE2-CD2 4.2Å; F409-W411 HydrophobicContact CE2-CE3 4.05Å; F409-W411 AromaticContact CE2-CH2 3.69Å; F409-W411 HydrophobicContact CE2-CH2 3.69Å; F409-W411 AromaticContact CE2-CZ2 3.8Å; F409-W411 HydrophobicContact CE2-CZ2 3.8Å; F409-W411 AromaticContact CE2-CZ3 3.82Å; F409-W411 HydrophobicContact CE2-CZ3 3.82Å; F409-W411 HydrophobicContact CZ-CD2 4.4Å; F409-W411 AromaticContact CZ-CE2 3.86Å; F409-W411 HydrophobicContact CZ-CE3 4.32Å; F409-W411 AromaticContact CZ-CH2 3.12Å; F409-W411 HydrophobicContact CZ-CH2 3.12Å; F409-W411 AromaticContact CZ-CZ2 3.17Å; F409-W411 HydrophobicContact CZ-CZ2 3.17Å; F409-W411 AromaticContact CZ-CZ3 3.75Å; F409-W411 HydrophobicContact CZ-CZ3 3.75Å
412	I	98.5	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.9	178.2	-47.7	-54.2	0	0	0	108.5	N353 Q355 A399 A415 I419 Q423 M426 M430	N353-I412 PolarHBondContact O-N 3.46Å; Q355-I412 WeakPolarHBondContact CB-O 3.21Å; Q355-I412 PolarHBondContact N-O 3.26Å; A399-I412 HydrophobicContact CB-CD1 3.77Å; I412-A415 HydrophobicContact CB-CB 4.23Å; I412-A415 HydrophobicContact CG2-CB 3.97Å; I412-I419 HydrophobicContact CB-CD1 4.3Å; I412-I419 HydrophobicContact CB-CG2 4.15Å; I412-I419 HydrophobicContact CG1-CD1 3.94Å; I412-I419 HydrophobicContact CG1-CG2 4.02Å; I412-I419 HydrophobicContact CG2-CG2 3.91Å; I412-Q423 HydrophobicContact CG2-CB 3.94Å; I412-Q423 HydrophobicContact CG2-CG 4.21Å; I412-M426 HydrophobicContact CD1-CG 4.14Å; I412-M426 HydrophobicContact CG2-CB 4.32Å; I412-M426 HydrophobicContact CG2-CG 3.79Å; I412-M430 HydrophobicContact CD1-SD 4.02Å; I412-M430 HydrophobicContact CG1-SD 4.47Å
413	L	98.2	Very high	97.9	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.141	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	148.7	-175.6	-57.3	-177.3	0	0	0	110.3	Q355 T397 G398 F400 A415 Q423	Q355-L413 HydrophobicContact CB-CD2 4.45Å; Q355-L413 HydrophobicContact CG-CD2 4.44Å; T397-L413 HydrophobicContact CG2-CD1 3.87Å; G398-L413 WeakPolarHBondContact O-CB 3.16Å; G398-L413 PolarHBondContact O-N 3.47Å; F400-L413 HydrophobicContact CD2-CD1 4.2Å; F400-L413 HydrophobicContact CD2-CD2 4.07Å; F400-L413 HydrophobicContact CD2-CG 4.38Å; F400-L413 HydrophobicContact CE2-CD1 3.8Å; F400-L413 HydrophobicContact CE2-CD2 4.16Å; F400-L413 HydrophobicContact CE2-CG 4.41Å; L413-A415 PolarHBondContact O-N 2.91Å; L413-A415 VanDerWaalsContact O-N 3.09Å; L413-Q423 WeakPolarHBondContact O-CG 3.38Å
414	K	97.1	Very high	97.9	Very high	82 Å²	82	28 Å²	28	36%	0.357	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	11.7	178.9	-40.6	165.7	-152.4	159.8	0	114.7	Q355 D390 Q423	Q355-K414 VanDerWaalsContact OE1-N 3.15Å; D390-K414 IonicContact OD2-NZ 2.73Å; D390-K414 PolarHBondContact OD2-NZ 3.39Å; K414-Q423 PolarHBondContact O-NE2 3Å
415	A	98.2	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.			trans	-102.6	139.4	173.6	0	0	0	0	0	110.2	G354 Q355 L356 I412 L413 I419 D422 Q423	G354-A415 CarbonylContact C-O 3.21Å; G354-A415 VanDerWaalsContact CA-O 3.27Å; G354-A415 WeakPolarHBondContact CA-O 3.41Å; Q355-A415 PolarHBondContact N-O 2.65Å; L356-A415 WeakPolarHBondContact CB-O 3.38Å; L356-A415 PolarHBondContact N-O 2.86Å; I412-A415 HydrophobicContact CB-CB 4.23Å; I412-A415 HydrophobicContact CG2-CB 3.97Å; L413-A415 PolarHBondContact O-N 2.91Å; L413-A415 VanDerWaalsContact O-N 3.09Å; A415-I419 HydrophobicContact CB-CB 4.38Å; A415-I419 HydrophobicContact CB-CG1 3.93Å; A415-I419 HydrophobicContact CB-CG2 4.38Å; A415-D422 HydrophobicContact CB-CB 4.14Å; A415-Q423 HydrophobicContact CB-CB 4.15Å; A415-Q423 HydrophobicContact CB-CG 3.64Å
416	G	98.1	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.			trans	-85.5	-150	160.5	0	0	0	0	0	111.2	Y259 D422	Y259-G416 CarbonylContact O-C 3.1Å; Y259-G416 VanDerWaalsContact O-CA 3.26Å; Y259-G416 WeakPolarHBondContact O-CA 3.35Å; G416-D422 WeakPolarHBondContact CA-OD2 3.28Å; G416-D422 PolarHBondContact N-OD2 3.03Å
417	H	98	Very high	97.8	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	10%	0.104	C	C	.	.	S	Bend	trans	-62.3	-46.4	-173.4	-165.1	67.7	0	0	0	113.4	S156 D189 Y259 D357 I359 I419	S156-H417 WeakPolarHBondContact CB-NE2 3.3Å; S156-H417 PolarHBondContact OG-CE1 2.89Å; S156-H417 PolarHBondContact OG-NE2 2.97Å; D189-H417 PolarHBondContact O-CE1 2.84Å; Y259-H417 HydrophobicContact CD1-CB 3.65Å; Y259-H417 AromaticContact CD1-CD2 3.4Å; Y259-H417 VanDerWaalsContact CD1-CD2 3.4Å; Y259-H417 WeakPolarHBondContact CD1-CD2 3.44Å; Y259-H417 AromaticContact CD1-CG 3.57Å; Y259-H417 AromaticContact CE1-CD2 3.64Å; Y259-H417 AromaticContact CE1-NE2 3.97Å; Y259-H417 HydrophobicContact CG-CB 4.26Å; Y259-H417 PolarHBondContact O-N 2.71Å; D357-H417 HydrophobicContact CB-CB 4.39Å; D357-H417 VanDerWaalsContact CG-ND1 3.33Å; D357-H417 IonicContact OD1-CG 2.76Å; D357-H417 IonicContact OD1-ND1 3.31Å; D357-H417 PolarHBondContact OD1-ND1 2.72Å; D357-H417 IonicContact OD2-CE1 2.87Å; D357-H417 IonicContact OD2-CG 2.79Å; D357-H417 IonicContact OD2-ND1 3.74Å; D357-H417 PolarHBondContact OD2-ND1 3.46Å; I359-H417 WeakPolarHBondContact CG2-ND1 3.42Å; H417-I419 VanDerWaalsContact C-N 3.32Å; H417-I419 PolarHBondContact O-N 2.93Å; H417-I419 VanDerWaalsContact O-N 3.09Å
418	M	97.3	Very high	97.8	Very high	33 Å²	33	19.1 Å²	19.1	16%	0.163	11%	0.107	C	C	.	.			trans	-86.8	71.8	178.8	-57.7	84.7	151.9	0	0	110.6	F74 E155 Y259 P420 S421 D422	F74-M418 HydrophobicContact CE1-CE 4.37Å; F74-M418 HydrophobicContact CE1-CG 4.22Å; F74-M418 HydrophobicContact CZ-CE 3.86Å; F74-M418 HydrophobicContact CZ-CG 4.41Å; E155-M418 WeakPolarHBondContact OE2-CA 3.36Å; Y259-M418 HydrophobicContact CD1-CE 4.43Å; Y259-M418 HydrophobicContact CD1-SD 4.42Å; Y259-M418 HydrophobicContact CG-CE 4.27Å; Y259-M418 HydrophobicContact CG-SD 4.33Å; M418-P420 VanDerWaalsContact C-CD 3.43Å; M418-P420 VanDerWaalsContact C-N 3.33Å; M418-S421 WeakPolarHBondContact O-CA 3.4Å; M418-S421 WeakPolarHBondContact O-CB 3.45Å; M418-S421 PolarHBondContact O-N 3.16Å; M418-D422 PolarHBondContact O-N 3.43Å; M418-D422 VanDerWaalsContact O-N 3.07Å
419	I	98.4	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-49.3	-45.7	-175.6	-68.3	167.7	0	0	0	113.2	D189 Y352 I412 A415 H417 S421 D422 Q423 A427	D189-I419 WeakPolarHBondContact OD2-CD1 3.33Å; Y352-I419 HydrophobicContact CD2-CD1 3.46Å; Y352-I419 VanDerWaalsContact CD2-CD1 3.46Å; Y352-I419 HydrophobicContact CE2-CD1 3.93Å; I412-I419 HydrophobicContact CB-CD1 4.3Å; I412-I419 HydrophobicContact CB-CG2 4.15Å; I412-I419 HydrophobicContact CG1-CD1 3.94Å; I412-I419 HydrophobicContact CG1-CG2 4.02Å; I412-I419 HydrophobicContact CG2-CG2 3.91Å; A415-I419 HydrophobicContact CB-CB 4.38Å; A415-I419 HydrophobicContact CB-CG1 3.93Å; A415-I419 HydrophobicContact CB-CG2 4.38Å; H417-I419 VanDerWaalsContact C-N 3.32Å; H417-I419 PolarHBondContact O-N 2.93Å; H417-I419 VanDerWaalsContact O-N 3.09Å; I419-S421 PolarHBondContact O-N 3.04Å; I419-D422 PolarHBondContact O-N 3.18Å; I419-Q423 CarbonylContact O-C 3.58Å; I419-Q423 WeakPolarHBondContact O-CA 3.39Å; I419-Q423 PolarHBondContact O-N 2.9Å; I419-A427 HydrophobicContact CG2-CB 4.01Å
420	P	97.6	Very high	97.7	Very high	4 Å²	4	21 Å²	21	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-25.5	-178.9	-19.9	33	0	0	0	113.8	W62 E79 I80 W94 M418 G424 A427	W62-P420 HydrophobicContact CH2-CG 4.21Å; E79-P420 HydrophobicContact CB-CB 4.3Å; I80-P420 HydrophobicContact CG2-CB 3.41Å; I80-P420 VanDerWaalsContact CG2-CB 3.41Å; I80-P420 HydrophobicContact CG2-CG 3.59Å; W94-P420 HydrophobicContact CZ2-CG 4.28Å; M418-P420 VanDerWaalsContact C-CD 3.43Å; M418-P420 VanDerWaalsContact C-N 3.33Å; P420-G424 WeakPolarHBondContact O-CA 3.18Å; P420-G424 PolarHBondContact O-N 3.31Å; P420-A427 HydrophobicContact CB-CB 4.13Å; P420-A427 HydrophobicContact CG-CB 4.29Å
421	S	95.1	Very high	97.7	Very high	55 Å²	55	20.6 Å²	20.6	39%	0.385	11%	0.113	S	C	.	.	H	α-helix	trans	-77.2	-44.8	175.3	-62	0	0	0	0	111.5	E78 M418 I419	E78-S421 PolarHBondContact O-OG 3.46Å; M418-S421 WeakPolarHBondContact O-CA 3.4Å; M418-S421 WeakPolarHBondContact O-CB 3.45Å; M418-S421 PolarHBondContact O-N 3.16Å; I419-S421 PolarHBondContact O-N 3.04Å
422	D	96.7	Very high	97.7	Very high	65 Å²	65	22.6 Å²	22.6	35%	0.348	12%	0.122	S	C	.	.	H	α-helix	trans	-79.7	-37.8	-176	-73.7	-7.6	0	0	0	112.9	N260 A415 G416 M418 I419	N260-D422 PolarHBondContact ND2-OD2 3.35Å; N260-D422 VanDerWaalsContact ND2-OD2 3.07Å; A415-D422 HydrophobicContact CB-CB 4.14Å; G416-D422 WeakPolarHBondContact CA-OD2 3.28Å; G416-D422 PolarHBondContact N-OD2 3.03Å; M418-D422 PolarHBondContact O-N 3.43Å; M418-D422 VanDerWaalsContact O-N 3.07Å; I419-D422 PolarHBondContact O-N 3.18Å
423	Q	97.6	Very high	97.7	Very high	34 Å²	34	24.9 Å²	24.9	16%	0.159	13%	0.133	C	C	.	.	S	Bend	trans	-135	50.7	-174.4	-65.4	-59.4	-32.5	0	0	112	I412 L413 K414 A415 I419 A425 M426 A427	I412-Q423 HydrophobicContact CG2-CB 3.94Å; I412-Q423 HydrophobicContact CG2-CG 4.21Å; L413-Q423 WeakPolarHBondContact O-CG 3.38Å; K414-Q423 PolarHBondContact O-NE2 3Å; A415-Q423 HydrophobicContact CB-CB 4.15Å; A415-Q423 HydrophobicContact CB-CG 3.64Å; I419-Q423 CarbonylContact O-C 3.58Å; I419-Q423 WeakPolarHBondContact O-CA 3.39Å; I419-Q423 PolarHBondContact O-N 2.9Å; Q423-A425 VanDerWaalsContact C-N 3.29Å; Q423-A425 PolarHBondContact O-N 3.19Å; Q423-A425 VanDerWaalsContact O-N 3.14Å; Q423-M426 HydrophobicContact CB-CB 4.24Å; Q423-M426 PolarHBondContact O-N 2.68Å; Q423-A427 PolarHBondContact O-N 3.49Å
424	G	97.3	Very high	97.6	Very high	12 Å²	12	24.4 Å²	24.4	12%	0.124	13%	0.131	C	C	.	.	H	α-helix	trans	-55.4	-35.2	-172.1	0	0	0	0	0	115.9	P420 L428	P420-G424 WeakPolarHBondContact O-CA 3.18Å; P420-G424 PolarHBondContact O-N 3.31Å; G424-L428 VanDerWaalsContact O-CB 3.29Å; G424-L428 WeakPolarHBondContact O-CB 3.3Å; G424-L428 PolarHBondContact O-N 3.44Å; G424-L428 VanDerWaalsContact O-N 3.08Å
425	A	97.6	Very high	97.7	Very high	31 Å²	31	21.1 Å²	21.1	26%	0.256	12%	0.117	S	C	.	.	H	α-helix	trans	-67.8	-41	177.9	0	0	0	0	0	111.8	T92 P391 A392 Q423 Q429	T92-A425 HydrophobicContact CG2-CB 4.39Å; P391-A425 HydrophobicContact CB-CB 4.12Å; A392-A425 HydrophobicContact CB-CB 4.18Å; Q423-A425 VanDerWaalsContact C-N 3.29Å; Q423-A425 PolarHBondContact O-N 3.19Å; Q423-A425 VanDerWaalsContact O-N 3.14Å; A425-Q429 PolarHBondContact O-N 3.28Å; A425-Q429 VanDerWaalsContact O-N 3.13Å
426	M	97.9	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-70.2	-41.8	175.3	-176.7	49.7	67.2	0	0	111.6	L388 D389 P391 A399 I412 Q423 L428 Q429 M430	L388-M426 HydrophobicContact CB-CE 4.43Å; D389-M426 VanDerWaalsContact O-CE 3.27Å; D389-M426 WeakPolarHBondContact O-CE 3.29Å; P391-M426 HydrophobicContact CG-CE 4.35Å; A399-M426 HydrophobicContact CB-CE 4.31Å; A399-M426 HydrophobicContact CB-CG 4.14Å; A399-M426 HydrophobicContact CB-SD 3.82Å; I412-M426 HydrophobicContact CD1-CG 4.14Å; I412-M426 HydrophobicContact CG2-CB 4.32Å; I412-M426 HydrophobicContact CG2-CG 3.79Å; Q423-M426 HydrophobicContact CB-CB 4.24Å; Q423-M426 PolarHBondContact O-N 2.68Å; M426-L428 VanDerWaalsContact C-N 3.27Å; M426-L428 PolarHBondContact O-N 3.36Å; M426-Q429 PolarHBondContact O-N 3.04Å; M426-M430 WeakPolarHBondContact O-CB 3.45Å; M426-M430 PolarHBondContact O-N 3.1Å
427	A	98.2	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.4	-41.6	176.8	0	0	0	0	0	112.1	I419 P420 Q423 M430 L431	I419-A427 HydrophobicContact CG2-CB 4.01Å; P420-A427 HydrophobicContact CB-CB 4.13Å; P420-A427 HydrophobicContact CG-CB 4.29Å; Q423-A427 PolarHBondContact O-N 3.49Å; A427-M430 PolarHBondContact O-N 3.45Å; A427-L431 PolarHBondContact O-N 3.36Å
428	L	97.9	Very high	95.5	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-72	-36.9	178.1	177.9	59.8	0	0	0	113.1	Q96 A97 G424 M426 L431 K432	Q96-L428 HydrophobicContact CG-CD1 4.14Å; Q96-L428 HydrophobicContact CG-CD2 4.44Å; A97-L428 HydrophobicContact CB-CD1 4.17Å; G424-L428 VanDerWaalsContact O-CB 3.29Å; G424-L428 WeakPolarHBondContact O-CB 3.3Å; G424-L428 PolarHBondContact O-N 3.44Å; G424-L428 VanDerWaalsContact O-N 3.08Å; M426-L428 VanDerWaalsContact C-N 3.27Å; M426-L428 PolarHBondContact O-N 3.36Å; L428-L431 HydrophobicContact CD1-CD2 4.33Å; L428-L431 PolarHBondContact O-N 2.89Å; L428-K432 WeakPolarHBondContact O-CG 3.31Å; L428-K432 PolarHBondContact O-N 3.04Å
429	Q	97.5	Very high	95.4	Very high	51 Å²	51	39.1 Å²	39.1	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-45.6	170.4	-177.8	-176.7	5.6	0	0	110.7	P391 A425 M426 L431 K432 M433	P391-Q429 HydrophobicContact CG-CB 4.13Å; A425-Q429 PolarHBondContact O-N 3.28Å; A425-Q429 VanDerWaalsContact O-N 3.13Å; M426-Q429 PolarHBondContact O-N 3.04Å; Q429-L431 VanDerWaalsContact C-N 3.33Å; Q429-L431 PolarHBondContact O-N 3.25Å; Q429-K432 WeakPolarHBondContact O-CB 3.35Å; Q429-K432 PolarHBondContact O-N 3.19Å; Q429-K432 VanDerWaalsContact O-N 3.11Å; Q429-M433 HydrophobicContact CG-SD 4.33Å; Q429-M433 WeakPolarHBondContact O-CG 3.23Å; Q429-M433 PolarHBondContact O-N 2.96Å
430	M	98.2	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-43.9	176.6	179.2	-165.7	69.3	0	0	111.5	Y352 Y410 I412 M426 A427 K432 M433 I434	Y352-M430 WeakPolarHBondContact CB-SD 3.49Å; Y352-M430 HydrophobicContact CD1-CE 4Å; Y352-M430 HydrophobicContact CD1-SD 4.2Å; Y352-M430 HydrophobicContact CD2-CE 3.55Å; Y352-M430 HydrophobicContact CD2-SD 3.86Å; Y352-M430 HydrophobicContact CE1-CE 4.19Å; Y352-M430 HydrophobicContact CE2-CE 3.79Å; Y352-M430 HydrophobicContact CG-CE 3.67Å; Y352-M430 HydrophobicContact CG-SD 3.59Å; Y352-M430 VanDerWaalsContact CG-SD 3.59Å; Y410-M430 HydrophobicContact CD1-CG 3.94Å; Y410-M430 HydrophobicContact CD1-SD 4.46Å; Y410-M430 HydrophobicContact CD2-CG 4.44Å; Y410-M430 HydrophobicContact CE1-CG 4.1Å; Y410-M430 HydrophobicContact CG-CG 4.14Å; Y410-M430 HydrophobicContact CG-SD 4.17Å; I412-M430 HydrophobicContact CD1-SD 4.02Å; I412-M430 HydrophobicContact CG1-SD 4.47Å; M426-M430 WeakPolarHBondContact O-CB 3.45Å; M426-M430 PolarHBondContact O-N 3.1Å; A427-M430 PolarHBondContact O-N 3.45Å; M430-K432 VanDerWaalsContact C-N 3.33Å; M430-K432 PolarHBondContact O-N 3.35Å; M430-M433 PolarHBondContact O-N 3.44Å; M430-I434 HydrophobicContact CE-CD1 4.34Å; M430-I434 HydrophobicContact CG-CD1 3.67Å; M430-I434 HydrophobicContact CG-CG1 4.31Å; M430-I434 VanDerWaalsContact O-CG1 3.28Å; M430-I434 WeakPolarHBondContact O-CG1 3.26Å; M430-I434 PolarHBondContact O-N 2.86Å; M430-I434 HydrophobicContact SD-CD1 4.23Å
431	L	98.4	Very high	95.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-53.4	-50	173	169.3	66.6	0	0	0	111.4	V60 W94 A97 F153 A427 L428 Q429 M433 I434 T435	V60-L431 HydrophobicContact CG2-CD1 3.99Å; W94-L431 HydrophobicContact CB-CD2 3.82Å; W94-L431 HydrophobicContact CD2-CD2 3.64Å; W94-L431 HydrophobicContact CD2-CG 4.46Å; W94-L431 HydrophobicContact CE3-CD1 4.11Å; W94-L431 HydrophobicContact CE3-CD2 3.84Å; W94-L431 HydrophobicContact CE3-CG 4.43Å; W94-L431 HydrophobicContact CG-CD2 3.65Å; W94-L431 HydrophobicContact CZ2-CB 4.42Å; W94-L431 HydrophobicContact CZ3-CD1 4.14Å; A97-L431 HydrophobicContact CB-CD2 4.01Å; F153-L431 HydrophobicContact CE1-CD1 4.16Å; F153-L431 HydrophobicContact CE2-CD1 3.94Å; F153-L431 HydrophobicContact CZ-CD1 3.67Å; A427-L431 PolarHBondContact O-N 3.36Å; L428-L431 HydrophobicContact CD1-CD2 4.33Å; L428-L431 PolarHBondContact O-N 2.89Å; Q429-L431 VanDerWaalsContact C-N 3.33Å; Q429-L431 PolarHBondContact O-N 3.25Å; L431-M433 VanDerWaalsContact C-N 3.34Å; L431-M433 PolarHBondContact O-N 2.92Å; L431-I434 PolarHBondContact O-N 3.48Å; L431-T435 HydrophobicContact CD1-CG2 3.9Å; L431-T435 WeakPolarHBondContact O-CB 3.45Å; L431-T435 WeakPolarHBondContact O-CG2 3.47Å; L431-T435 PolarHBondContact O-N 3.18Å; L431-T435 PolarHBondContact O-OG1 3.48Å
432	K	97.7	Very high	95.1	Very high	64 Å²	64	42.5 Å²	42.5	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-42	179.8	-72	178.8	174.6	-170.2	0	112.2	A97 L428 Q429 M430 T435 Q436 Q437	A97-K432 HydrophobicContact CB-CG 4.09Å; L428-K432 WeakPolarHBondContact O-CG 3.31Å; L428-K432 PolarHBondContact O-N 3.04Å; Q429-K432 WeakPolarHBondContact O-CB 3.35Å; Q429-K432 PolarHBondContact O-N 3.19Å; Q429-K432 VanDerWaalsContact O-N 3.11Å; M430-K432 VanDerWaalsContact C-N 3.33Å; M430-K432 PolarHBondContact O-N 3.35Å; K432-T435 CarbonylContact O-C 3.57Å; K432-T435 PolarHBondContact O-N 3.38Å; K432-T435 PolarHBondContact O-OG1 3.26Å; K432-Q436 PolarHBondContact O-N 2.81Å; K432-Q437 HydrophobicContact CB-CB 4.14Å; K432-Q437 HydrophobicContact CG-CB 4.39Å; K432-Q437 PolarHBondContact O-N 3.37Å
433	M	97.8	Very high	95	Very high	48 Å²	48	41.1 Å²	41.1	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-46.8	176.3	-68.4	-179.9	71.5	0	0	112.2	L388 F401 Y410 Q429 M430 L431 T435 Q436	L388-M433 HydrophobicContact CD1-CE 4.02Å; L388-M433 HydrophobicContact CD1-SD 3.68Å; L388-M433 HydrophobicContact CD2-CE 3.99Å; L388-M433 HydrophobicContact CD2-SD 4.15Å; F401-M433 HydrophobicContact CE1-CE 4.21Å; F401-M433 HydrophobicContact CE2-CE 4.18Å; F401-M433 HydrophobicContact CZ-CE 3.94Å; Y410-M433 HydrophobicContact CE1-CE 4.49Å; Q429-M433 HydrophobicContact CG-SD 4.33Å; Q429-M433 WeakPolarHBondContact O-CG 3.23Å; Q429-M433 PolarHBondContact O-N 2.96Å; M430-M433 PolarHBondContact O-N 3.44Å; L431-M433 VanDerWaalsContact C-N 3.34Å; L431-M433 PolarHBondContact O-N 2.92Å; M433-T435 VanDerWaalsContact C-N 3.26Å; M433-T435 PolarHBondContact O-N 3.41Å; M433-Q436 PolarHBondContact O-N 2.93Å
434	I	98.1	Very high	94.8	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-38.2	179.5	-68.3	165.6	0	0	0	110.9	Y151 F153 A186 T350 Y410 M430 L431 Q436	Y151-I434 HydrophobicContact CD1-CG2 4.5Å; Y151-I434 HydrophobicContact CE1-CG2 4.46Å; F153-I434 HydrophobicContact CE1-CD1 3.77Å; F153-I434 HydrophobicContact CE2-CG2 4.23Å; F153-I434 HydrophobicContact CZ-CB 4.03Å; F153-I434 HydrophobicContact CZ-CD1 3.82Å; F153-I434 HydrophobicContact CZ-CG2 3.68Å; A186-I434 HydrophobicContact CB-CD1 4.45Å; T350-I434 HydrophobicContact CG2-CD1 3.65Å; T350-I434 HydrophobicContact CG2-CG1 4.02Å; Y410-I434 HydrophobicContact CE2-CD1 4.38Å; Y410-I434 HydrophobicContact CE2-CG1 4.08Å; M430-I434 HydrophobicContact CE-CD1 4.34Å; M430-I434 HydrophobicContact CG-CD1 3.67Å; M430-I434 HydrophobicContact CG-CG1 4.31Å; M430-I434 VanDerWaalsContact O-CG1 3.28Å; M430-I434 WeakPolarHBondContact O-CG1 3.26Å; M430-I434 PolarHBondContact O-N 2.86Å; M430-I434 HydrophobicContact SD-CD1 4.23Å; L431-I434 PolarHBondContact O-N 3.48Å; I434-Q436 VanDerWaalsContact C-N 3.31Å
435	T	97.4	Very high	94.6	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.074	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	10.4	-179.1	59.8	0	0	0	0	113.8	P58 Y151 F153 L431 K432 M433 Q437	P58-T435 HydrophobicContact CB-CG2 4.44Å; P58-T435 HydrophobicContact CG-CG2 3.99Å; Y151-T435 HydrophobicContact CD1-CG2 4.46Å; Y151-T435 HydrophobicContact CD2-CG2 3.77Å; Y151-T435 HydrophobicContact CE1-CG2 4.46Å; Y151-T435 HydrophobicContact CE2-CG2 3.78Å; Y151-T435 HydrophobicContact CG-CG2 4.11Å; F153-T435 HydrophobicContact CE2-CG2 4.4Å; L431-T435 HydrophobicContact CD1-CG2 3.9Å; L431-T435 WeakPolarHBondContact O-CB 3.45Å; L431-T435 WeakPolarHBondContact O-CG2 3.47Å; L431-T435 PolarHBondContact O-N 3.18Å; L431-T435 PolarHBondContact O-OG1 3.48Å; K432-T435 CarbonylContact O-C 3.57Å; K432-T435 PolarHBondContact O-N 3.38Å; K432-T435 PolarHBondContact O-OG1 3.26Å; M433-T435 VanDerWaalsContact C-N 3.26Å; M433-T435 PolarHBondContact O-N 3.41Å; T435-Q437 PolarHBondContact O-N 2.93Å; T435-Q437 PolarHBondContact OG1-NE2 3.23Å
436	Q	94.4	Very high	94.4	Very high	153 Å²	153	44.7 Å²	44.7	72%	0.715	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	45.2	171.7	-53.8	175.9	19.6	0	0	113.8	K432 M433 I434	K432-Q436 PolarHBondContact O-N 2.81Å; M433-Q436 PolarHBondContact O-N 2.93Å; I434-Q436 VanDerWaalsContact C-N 3.31Å
437	Q	90.2	Very high	94.1	Very high	59 Å²	59	48.3 Å²	48.3	28%	0.276	24%	0.237	S	C	.	.			trans	-94.5	-4	-179.5	-59.2	-175.5	27.9	0	0	114.3	A97 K432 T435	A97-Q437 PolarHBondContact O-NE2 2.78Å; A97-Q437 PolarHBondContact O-OE1 3.34Å; K432-Q437 HydrophobicContact CB-CB 4.14Å; K432-Q437 HydrophobicContact CG-CB 4.39Å; K432-Q437 PolarHBondContact O-N 3.37Å; T435-Q437 PolarHBondContact O-N 2.93Å; T435-Q437 PolarHBondContact OG1-NE2 3.23Å
438	D	63.8	Low	93.8	Very high	163 Å²	163	52.7 Å²	52.7	87%	0.872	26%	0.259	S	S	*	.			trans	-105.6	0	-175.7	-63.5	-33.4	0	0	0	112.8

Retrieved 438 of 438 residues in 474.2 ms (Link to these results)

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